![C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -Tione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4s)-(9ci, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -Tione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4s)-(9ci, ACI) H319, H302 imaj chinan](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-F] indolizine-3,6,10 (4H) -Tione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4s)-(9ci, ACI) H319, H302
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 263.25 | - |
| Pwen k ap fonn (eksperimantal) | 177.1-178.3 ° C | - |
| Pwen bouyi (prevwa) | 666.6 ± 55.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.50 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 11.20 ± 0.20 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1c2 = c (c = c3c (= o) ccn13) c (o) (c (= o) oc2) cc
Isomerik souri C (C) [C@] 1 (O) C2 = C (C (= O) N3C (= C2) C (= O) CC3) COC1 = O)
Inchi
Inchi = 1S/C13H13NO5/C1-2-13 (18) 8-5-9-10 (15) 3-4-14 (9) 11 (16) 7 (8) 6-19-12 (13) 17/h5,18h, 2-4,6h2,1h3/t13-/m0/s1
Inchi kle
Igkwogmvaoyvsj-zdusscgksa-n
5 Lòt non pou sibstans sa a
(4S) -4-ethyl-7,8-dihydro-4-hydroxy-1H-pirano [3,4-F] indolizine-3,6,10 (4h) -Tione (ACI); 1H-Pyrano [3,4-F] indolizine-3,6,10 (4h) -Tione, 4- etil-7,8-dihydro-4-hydroxy-, (s)-(ZCI); (4S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pirano [3,4-F] indolizine-3,6,10 (4h) Trione; (4S) -4-etil-4-
Hydroxy-7,8-dihydro-1H-pirano [3,4-F] indolizine-3,6,10-Trione; (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-F] indolizine-3,6,10 (4h) -Tione
| Pwopriyete ki disponib |
| Optik ak simaye |
| Tèmik |
Optik ak simaye
| Posesyon | Valè | Kondisyon | Sous |
| Optik pouvwa wotasyon | +120.6 DEG | C: 0.62 g/100ml; Sòlvan: kloroform | (1) IC |
| Optik pouvwa wotasyon | +120.57 DEG | C: 0.62 g/100ml; Sòlvan: kloroform; Tan: 20 ° C | (2) IC |
| Optik pouvwa wotasyon | +119.57 DEG | C: 1.0 g/100ml; Sòlvan: kloroform; λ: 589.3 nm; Tan: 25 ° C | (3) Cas |
| Optik pouvwa wotasyon | +119.57 degre · ml/g · dm | C: 1.0 g/100ml; Sòlvan: kloroform; λ: sodyòm d liy; Tan: 25 ° C | (4) Cas |
| Optik pouvwa wotasyon | +117.6 DEG | C: 0.56 g/100ml; Sòlvan: kloroform; Tan: 23 ° C | (5) IC |
| Optik pouvwa wotasyon | +116.14 degre · ml/g · dm | C: 1.0 g/100ml; Sòlvan: kloroform; λ: sodyòm d liy; Tan: 26 ° C | (4) Cas |
| Optik pouvwa wotasyon | +96 DEG | C: 0.40 g/100ml; Tan: 21 ° C | (6) IC |
| Optik pouvwa wotasyon | +77.8 DEG | C: 0.62 g/100ml; Sòlvan: kloroform; λ: 589.3 nm; Tan: 25 ° C | (7) Cas |
(1) Terasawa, Hirofumi; Chimik & Bilten famasetik, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, Caplus
(3) Henegar, Kevin E.; Journal of Organic Chimi, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Chimi - Yon jounal Azyatik, (2013), 8 (3), 630-638, Caplus
(5) Ejima, Akio; Journal of Chimik Sosyete a, Perkin Tranzaksyon 1: Chimi òganik ak biyo-òganik (1972-1999), (1990) (1), 27-31, Caplus
(6) Wani, Mansukh C; Journal of Chimi medsin, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
Tèmik
| Posesyon | Valè | Kondisyon | Sous | |
| Pwen k ap fonn | 183-185 ° C (decomp) | (1) Cas | ||
| Pwen k ap fonn | 177.1-178.3 ° C | (2) Cas | ||
| Pwen k ap fonn | 176-177 ° C (decomp) | (3) IC | ||
| Pwen k ap fonn | 169-170 ° C | Sòlvan: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin E.; Journal of Organic Chimi, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, Akio; Journal of Chimik Sosyete a, Perkin Tranzaksyon 1: Chimi òganik ak biyo-òganik (1972-1999), (1990) (1), 27-31, Caplus
(4) Wani, Mansukh C; Journal of Chimi medsin, (1987), 30 (12), 2317-19, Caplus
Spèktr ki disponib
1H NMR
Mas
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 7.37 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 7.37 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 7.37 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 7.37 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 7.37 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 7.37 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 7.37 | pH 7; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 7.37 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 7.33 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 6.94 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -0.94 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -0.96 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | -0.936 ± 0.842 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 371 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 392 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 371 g/l | PH dlo unbuffered 5.53; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.41 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.41 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.41 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.41 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.41 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.41 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous | |
| Solubilite molè | 1.41 mol/l | pH 6; Tan: 25 ° C | (1) ACD | |
| Solubilite molè | 1.41 mol/l | pH 7; Tan: 25 ° C | (1) ACD | |
| Solubilite molè | 1.41 mol/l | pH 8; Tan: 25 ° C | (1) ACD | |
| Solubilite molè | 1.41 mol/l | pH 9; Tan: 25 ° C | (1) ACD | |
| Solubilite molè | 1.49 mol/L | pH 10; Tan: 25 ° C | (1) ACD | |
| Solubilite molè | 1.41 mol/l | PH dlo unbuffered 5.53; Tan: 25 ° C | (1) ACD | |
| Pwa molekilè | 263.25 | |||
| pka | 11.20 ± 0.20 | Pifò asid tanperati: 25 ° C | (1) ACD | |
| pka | -2.24 ± 0.40 | Pifò debaz tanperati: 25 ° C | (1) ACD | |
| Presyon vapè | 1.29 x 10-20 | Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.50 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 174.8 ± 5.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 2 | (1) ACD | |
| H akseptab | 6 | (1) ACD | |
| H donatè | 1 | (1) ACD | |
| H donatè/aksepte sòm | 7 | (1) ACD | |
| logp | -0.936 ± 0.842 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 263.25 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 83.9 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen bouyi | 666.6 ± 55.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 112.17 ± 6.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 357.0 ± 31.5 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
| Kòd | Deklarasyon danje | Sous |
| H319 | Lakòz iritasyon je grav | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
| H302 | Danjere si vale | Ewopeyen an Ajans Chimik (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak Etikèt - Notifikasyon ki pi komen, Ewopeyen Chimik Ajans (ECHA) Klasifikasyon & Envantè etikèt - Notifye Klasifikasyon ak etikèt - Notifikasyon ki pi grav |
Enfòmasyon sou biznis konfidansyèl: Piblik
| Sinonim regilasyon | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-piyranno (3,4-F) indolizine-3,6,10 (4h) -Tione | - | Franse |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-f] indolizine-3,6,10 (4h) -Tione | - | Franse |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano (3,4-F) indolizin-3,6,10 (4h) -Tion | - | Danwa, Alman |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano (3,4-F) indolizine-3,6,10 (4h) -Tion | - | Olandè |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-F] indolizin-3,6,10 (4h) -Tion | - | Danwa, Alman |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-F] indolizine-3,6,10 (4h) -Tion | - | Olandè |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pirano [3,4-F] indolizine-3,6,10 (4h) -Tione | - | - |
| (S) -4-ELIL-4-HIDROXI-7,8-dihidro-1H-pirano (3,4-F) Indolizina-3,6,10 (4H) -Triona | - | Pòtigè, Panyòl |
| (S) -4-ELIL-4-HIDROXI-7,8-dihidro-1H-pirano [3,4-F] indolizina-3,6,10 (4h) -Tiona | - | Pòtigè, Panyòl |
| (S) -4-EL-4-idrossi-7,8-diidro-1H-pirano (3,4-F) indolizin-3,6,10 (4h) -Tione | - | Italyen |
| (S) -4-ELIL-4-idrossi-7,8-diidro-1H-pirano [3,4-F] indolizin-3,6,10 (4h) -Tione | - | Italyen |
| (S) -4-etil-4-hydroxi-7,8-dihydro-1h-pirano (3,4-F) indolizin-3,6,10 (4h) -Tion | - | Swedish |
| (S) -4-etil-4-hydroxi-7,8-dihydro-1h-pirano [3,4-f] indolizin-3,6,10 (4h) -Tion | - | Swedish |
| (S) -4-Listeri-4-hydroksi-7,8-dihydro-1h-pirano (3,4-F) indolitsiini-3,6,10 (4h) -Tioni | - | Finnish |
| (S) -4-Listeri-4-hydroksi-7,8-dihydro-1h-pirano [3,4-F] indolitsiini-3,6,10 (4h) -Tioni | - | Finnish |
Detay pa Peyi/Entènasyonal & Lòt Lis
Kòd tarif amonize: 293499 Enfòmasyon Peyi/Rejyon ki disponib
Rezime Inyon Ewopeyen an
Drapo Inyon Ewopeyen
Kòd Ladwàn Inyon Ewopeyen CN: 29349990
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