![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) phenylmethyl]-2′- O- (2-methoxyethyl) - (9CI, ACI) Hoton da aka Fito](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) - (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 731.79 | - |
| Wurin narkewa (Gwaji) | 119-121 ° C | - |
| Girma (An annabta) | 1.31± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 7.87± 0.43 | Mafi yawan zafin jiki: 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
MURMUSHI
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 Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Wasu Sunaye na wannan Abu
N-Benzoyl-5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) adenosine (ACI); 17: PN: US20030211606 SHAFI: 19 da'awar jerin; 18: PN: US20040005569 SHAFI: 22 da'awar jeri; 20: PN: US20040006030 SHAFI: 23 da'awar jeri; 20: PN: US20040014047 SHAFI: 21 da'awar jerin; 20: PN: US20040014049 SHAFI: 21 da'awar jerin; 21: PN: US20040005570 PAG
E: 20 da'awar jerin; 21: PN: US20040014048 SHAFI: 21 da'awar jerin; 21: PN: US20040014050 SHAFI: 20 da'awar jerin; 22: PN: US20040005565 SHAFI: 17- 22 da'awar jeri; 22: PN: US20040014051 SHAFI: 23 da'awar jeri; 23: PN: US20040 014699 SHAFI: 20 da'awar jerin; 24: PN: US20040006029 SHAFI: 23 da'awar jeri; 24: PN: WO03106645 SHAFI: 73 da'awar jeri; 5'-Dimethoxytrityl-2'-O- (2-Methoxyethyl) -N6-benzoyl adenosine; 95: PN: US20040005707 SHAFI: 20 da'awar jeri
| Properties akwai |
| Thermal |
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Matsayin narkewa | 119-121 ° C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus
Spectra akwai
1H NMR
13C NMR
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 31700 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.08 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.43 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.48 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.48 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.45 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.19 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 43000 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 7050 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 2060 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 37400 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.28 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.69 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.74 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.74 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.71 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.40 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 50700 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 8320 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2430 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.44 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.97 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.09 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.11 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.11 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.10 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.01 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.57 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 5.78 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 5.25 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 7.109± 0.766 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.6 x 10-6 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.6 x 10-5 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 7.3 x 10-6 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-6 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.6 x 10-6 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.6 x 10-6 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.7 x 10-6 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 7.0 x 10-6 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Mass Solubility | 1.9 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.2 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 4.0 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 7.0 x 10-6 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 7.6 x 10-9 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.6 x 10-8 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.0 x 10-8 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.9 x 10-9 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.7 x 10-9 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.7 x 10-9 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.8 x 10-9 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 9.6 x 10-9 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.6 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.6 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 5.5 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 9.5 x 10-9 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 731.79 | ||
| pKa | 7.87± 0.43 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | 1.39± 0.10 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.31± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 556.9± 7.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 15 | (1) ACD | |
| H Masu karɓa | 13 | (1) ACD | |
| H Masu Ba da taimako | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| Dukiya | Daraja | Sharadi | Source |
| logP | 7.109± 0.766 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 731.79 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 148 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
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