C30H30N2O8 Uridine, 5′-O- [bis (4-methoxyphenyl) fenilmetil]-(9CI, ACI)
Kle pwopriyete fizik | Valè | Kondisyon |
Pwa molekilè | 546.57 | - |
Pwen k ap fonn (eksperimantal) | 111-112 ° C | Sòlvan: asetat etil |
Dansite (prevwa) | 1.343 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
PKA (prevwa) | 9.39 ± 0.10 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1c = cn (c (= o) n1) C2OC (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2OO
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (O) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = C = C = C = C = C = C = C (OC) C = C4) C5 = CC = C = C = C = C = C5
Inchi
Inchi = 1S/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35)
17-16-25 (33) 31-29 (32) 36/h3-17,24,26-28,34-35h, 18h2,1-2h3, (h, 31,33,36)/t24-, 26-, 27-, 28-/m1/s1
Inchi kle
Pcfsnqyxxacuhm-yuloidqlsa-n
4 Lòt non pou sibstans sa a
5′-O- [bis (4-methoxyphenyl) fenilmetil] uridine (ACI); Uridine, 5′-O- [α, α-bis (P-methoxyphenyl) benzil]-(7CI); 5′-dimethoxytrityl uridine; 5′-O- (4,4′-dimethoxytrityl) Uridine
Pwopriyete ki disponib |
Tèmik |
Tèmik
Posesyon | Valè | Kondisyon | Sous | |
Pwen k ap fonn | 122-123 ° C | (1) Cas | ||
Pwen k ap fonn | 111-112 ° C | Sòlvan: | Ethyl acetate | (2) Cas |
Pwen k ap fonn | Gade tèks konplè | (3) Cas |
(1) Zekri, Negar; Bilten nan Sosyete Chimik nan peyi Letiopi, (2010), 24 (2), 299-304, Caplus
(2) Patil, Premanand Ramrao; Journal of idrat kabòn Chimi, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-nezhad, Ali; Lèt Tetraedron, (2004), 45 (36), 6737-6739, Caplus
Spèktr ki disponib
1H NMR
13c NMR
Mas
Pwopriyete ki disponib |
Biolojik |
Chimik |
Densite |
Lipinski |
Estrikti ki gen rapò |
Biolojik
Posesyon | Valè | Kondisyon | Sous |
Faktè bioconcentration | 904 | Ph 1; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 904 | pH 2; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 904 | pH 3; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 904 | pH 4; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 904 | pH 5; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 904 | pH 6; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 900 | pH 7; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 861 | pH 8; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 602 | pH 9; Tan: 25 ° C | (1) ACD |
Posesyon | Valè | Kondisyon | Sous |
Faktè bioconcentration | 156 | 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 | 4550 | Ph 1; Tan: 25 ° C | (1) ACD |
Ka | 4550 | pH 2; Tan: 25 ° C | (1) ACD |
Ka | 4550 | pH 3; Tan: 25 ° C | (1) ACD |
Ka | 4550 | pH 4; Tan: 25 ° C | (1) ACD |
Ka | 4550 | pH 5; Tan: 25 ° C | (1) ACD |
Ka | 4540 | pH 6; Tan: 25 ° C | (1) ACD |
Ka | 4520 | pH 7; Tan: 25 ° C | (1) ACD |
Ka | 4330 | pH 8; Tan: 25 ° C | (1) ACD |
Ka | 3030 | pH 9; Tan: 25 ° C | (1) ACD |
Ka | 785 | pH 10; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | Ph 1; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | pH 2; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | pH 3; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | pH 4; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | pH 5; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | pH 6; Tan: 25 ° C | (1) ACD |
Logd | 4.19 | pH 7; Tan: 25 ° C | (1) ACD |
Logd | 4.17 | pH 8; Tan: 25 ° C | (1) ACD |
Logd | 4.02 | pH 9; Tan: 25 ° C | (1) ACD |
Logd | 3.43 | pH 10; Tan: 25 ° C | (1) ACD |
logp | 4.192 ± 0.628 | Tan: 25 ° C | (1) ACD |
Mas solubilite intrinsèques | 3.2 x 10-4 g/l | Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | pH 2; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | pH 3; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | pH 5; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | pH 6; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | pH 7; Tan: 25 ° C | (1) ACD |
Posesyon | Valè | Kondisyon | Sous |
Mas solubility | 3.3 x 10-4 g/l | pH 8; Tan: 25 ° C | (1) ACD |
Mas solubility | 4.8 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
Mas solubility | 1.9 x 10-3 g/l | pH 10; Tan: 25 ° C | (1) ACD |
Mas solubility | 3.2 x 10-4 g/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
Molar intrinsèques solubility | 5.8 x 10-7 mol/l | Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
Solubilite molè | 6.1 x 10-7 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
Solubilite molè | 8.7 x 10-7 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
Solubilite molè | 3.4 x 10-6 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
Solubilite molè | 5.8 x 10-7 mol/l | PH dlo unbuffered 6.99; Tan: 25 ° C | (1) ACD |
Pwa molekilè | 546.57 | ||
pka | 9.39 ± 0.10 | Pifò asid tanperati: 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 | 1.343 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
Volim molè | 406.9 ± 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 | 11 | (1) ACD | |
H akseptab | 10 | (1) ACD | |
H donatè | 3 | (1) ACD | |
H donatè/aksepte sòm | 13 | (1) ACD | |
logp | 4.192 ± 0.628 | Tan: 25 ° C | (1) ACD |
Posesyon | Valè | Kondisyon | Sous |
Pwa molekilè | 546.57 |
(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 | 127 A2 | (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