![C41H41N5O8 Adenosin, 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)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI) Imaj ki prezante](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosin, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 731,79 | - |
| Pwen fizyon (eksperimantal) | 119-121 °C | - |
| Dansite (Prevwa) | 1.31±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr |
| pKa (Prevwa) | 7.87±0.43 | Tanperati ki pi asid: 25 °C |
Canonical SMILES 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=CC7
Souri izomerik
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=CC=C(OC)C
=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)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (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)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI); 17: PN: US20030211606 PAJ: 19 reklame sekans; 18: PN: US20040005569 PAJ: 22 reklame sekans; 20: PN: US20040006030 PAJ: 23 reklame sekans; 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 reklame sekans; 22: PN: US20040005565 PAJ: 17- 22 sekans reklame; 22: PN: US20040014051 PAJ: 23 reklame sekans; 23: PN: US20040 014699 PAJ: 20 reklame sekans; 24: PN: US20040006029 PAJ: 23 reklame sekans; 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
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 119-121 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleozid, Nukleotid & Asid Nukleik, (2018), 37 (4), 232-247, CAplus
Spectre ki disponib
1H RMN
13C RMN
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 31700 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.08 x 105 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.43 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.48 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.48 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.45 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.19 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 43000 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 7050 | pH 9; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 2060 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 37400 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 1.28 x 105 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 1.69 x 105 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 1.74 x 105 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 1.74 x 105 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 1.40 x 105 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 50700 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 8320 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 2430 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 6.44 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 6.97 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 7.09 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 7.11 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 7.11 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 7.10 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 7.01 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 6.57 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 5.78 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 5.25 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 7.109±0.766 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 5.6 x 10-6 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.6 x 10-5 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 7.3 x 10-6 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-6 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.6 x 10-6 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.6 x 10-6 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.7 x 10-6 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 7.0 x 10-6 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite mas | 1.9 x 10-5 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.2 x 10-4 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.0 x 10-4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 7.0 x 10-6 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 7.6 x 10-9 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.6 x 10-8 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.0 x 10-8 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 7.9 x 10-9 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 7.7 x 10-9 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 7.7 x 10-9 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 7.8 x 10-9 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 9.6 x 10-9 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.6 x 10-8 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.6 x 10-7 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.5 x 10-7 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 9.5 x 10-9 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 731,79 | ||
| pKa | 7.87±0.43 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.31±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
| Volim molè | 556.9±7.0 cm3/mol | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 15 | (1) ACD | |
| H Aseptè | 13 | (1) ACD | |
| H Donatè | 2 | (1) ACD | |
| H Sòm donatè/akseptè | 15 | (1) ACD | |
| Pwopriyete | Valè | Kondisyon | Sous |
| logP | 7.109±0.766 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 731,79 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 148 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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