![C41H41N5O8 Adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′- O- (2-methoxyethyl)-(9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′- O- (2-methoxyethyl)-(9CI, ACI) chin an tap imaj](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′- O- (2-methoxyethyl)-(9CI, ACI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 731.79 | - |
| Pwen k ap fonn (eksperimantal) | 119-121 ° C | - |
| Dansite (prevwa) | 1.31 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 7.87 ± 0.43 | Pifò asid tanperati: 25 ° C |
Souri kanonyal O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OCCOC) C = 7C = CC = CC = CC
Souri izomèr
C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [C @@ H] 1O) N2C = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) C = C5) (C6
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C41H41N5O8/C1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34) 46) 45-37-2-25-43-38 (34) 46) 41 (28-12-8-5-9-13- (H, 42,43,45,48)/T33-, 35-, 36-, 40-/m1/s1
Inchi kle
Kevmxgndtkpsmc-mumpvvmasa-n
16 lòt non pou sibstans sa a
N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O- (2-methoxyethyl) adenozin (ACI); 17: PN: US20030211606 Paj: 19 reklame sekans; 18: PN: US20040005569 Paj: 22 sekans reklame; 20: PN: US20040006030 Paj: 23 sekans reklame; 20: PN: US20040014047 Paj: 21 reklame sekans; 20: PN: US20040014049 Paj: 21 reklame sekans; 21: PN: US20040005570 Pag
E: 20 reklame sekans; 21: PN: US20040014048 Paj: 21 reklame sekans; 21: PN: US20040014050 Paj: 20 sekans reklame; 22: PN: US20040005565 Paj: 17-2 22 sekans reklame; 22: PN: US20040014051 Paj: 23 sekans reklame; 23: PN: US20040 014699 Paj: 20 sekans reklame; 24: PN: US20040006029 Paj: 23 sekans reklame; 24: PN: WO03106645 Paj: 73 Sekans reklame; 5′-Dimethoxytrityl-2′-O- (2-methoxyethyl) -N6-Benzoyl Adenosine; 95: PN: US20040005707 Paj: 20 sekans reklame
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 119-121 ° C | (1) Cas | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, Caplus
Spèktr ki disponib
1H NMR
13c NMR
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 31700 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.08 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.43 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.48 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.48 x 105 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.45 x 105 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.19 x 105 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 43000 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 7050 | pH 9; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 2060 | 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 | 37400 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 1.28 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 1.69 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 1.74 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 1.74 x 105 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 1.71 x 105 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 1.40 x 105 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 50700 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 8320 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 2430 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 6.44 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 6.97 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 7.09 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 7.11 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 7.11 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 7.10 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 7.01 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 6.57 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 5.78 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 5.25 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 7.109 ± 0.766 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 5.6 x 10-6 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.6 x 10-5 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.3 x 10-6 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.8 x 10-6 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.6 x 10-6 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.6 x 10-6 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.7 x 10-6 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.0 x 10-6 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Mas solubility | 1.9 x 10-5 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.2 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.0 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.0 x 10-6 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 7.6 x 10-9 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.6 x 10-8 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.0 x 10-8 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.9 x 10-9 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.7 x 10-9 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.7 x 10-9 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.8 x 10-9 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 9.6 x 10-9 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.6 x 10-8 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.6 x 10-7 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.5 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 9.5 x 10-9 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 731.79 | ||
| pka | 7.87 ± 0.43 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 1.39 ± 0.10 | Pifò debaz 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 | 1.31 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 556.9 ± 7.0 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 | 15 | (1) ACD | |
| H akseptab | 13 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 15 | (1) ACD | |
| Posesyon | Valè | Kondisyon | Sous |
| logp | 7.109 ± 0.766 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 731.79 |
(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 | 148 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
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