![C20H31NO5 asid heptanoic, 3- hydroxy-5-methyl-4-[[(fenilmethoxy) carbonyl] amino]-, 1,1-dimethylethyl estè, [3r- (3r*, 4s*, 5s*)]-(9ci) H30](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 asid heptanoic, 3- hydroxy-5-methyl-4-[[(fenilmethoxy) carbonyl] amino]-, 1,1-dimethylethyl estè, [3R- (3R*, 4s*, 5s*)]-(9ci) H30 imaj) H30 imaj*, 4s*,*)]-(9CI) H30 APEASYE APECAN](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 asid heptanoic, 3- hydroxy-5-methyl-4-[[(fenilmethoxy) carbonyl] amino]-, 1,1-dimethylethyl estè, [3r- (3r*, 4s*, 5s*)]-(9ci) H30
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 365.46 | - |
| Pwen bouyi (prevwa) | 504.1 ± 50.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.091 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 11.82 ± 0.46 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c (occ = 1c = cc = cc1) nc (c (o) cc (= o) oc (c) (c) c) c (c) cc
Isomeric bèl souri [c@h] ([c @@ h] (cc (oc (c) (c) c) = o) o) (nc (occ1 = cc = cc = c1) = o) [c@h] (cc) c
Inchi
InChI=1S/C20H31NO5/c1-6-14(2)18(16(22)12-17(23)26-20(3,4)5)21-19(24)25-13-15-10-8-7-9-11-15/h7-11,14,16,18,22H,6,12-13H2,1-5 H3, (H, 21,24)/T14-, 16+, 18-/m0/s1
Inchi kle
Aztsbawjrolriq-lcradosa-n
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 616 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 617 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 616 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 604 | 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 | 3450 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 3460 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 3450 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 3390 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | Ph 1; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 3.97 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 3.97 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 3.96 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 3.974 ± 0.543 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 0.062 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.062 g/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.7 x 10-4 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 1.7 x 10-4 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-4 mol/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 365.46 | ||
| pka | 11.82 ± 0.46 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | -1.56 ± 0.70 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 5.56 x 10-11 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 | 1.091 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 334.7 ± 3.0 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 | 12 | (1) ACD | |
| H akseptab | 6 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 8 | (1) ACD | |
| logp | 3.974 ± 0.543 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 365.46 |
(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 | 84.9 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 | 504.1 ± 50.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 81.44 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 258.6 ± 30.1 ° 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 |
| H301 | Toksik 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 |
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