![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 687.74 | - |
| Girma (An annabta) | 1.32± 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)C3OC)C=7C=CC=CC7
MURMUSHI
C (OC[C@H] 1O[C@H]([C@H](OC)[C@@H] 1O = CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChi
InChi=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9-13-26,28-16-20-30(48-) 2)21-17-28)50-22-31-33(45)34(49-3)38(51- 31)44-24-42-32-35(40-23-41-36(32) 44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40 ,41,43,46)/t31-,33-,
34-,38-/m1/s1
InChi Key
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Wani Sunan Wannan Abu
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyladenosine (ACI)
Spectra akwai
1H NMR
13C NMR
Mass
Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 47800 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.63 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.16 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.23 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.23 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.18 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.79 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 64900 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 10600 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 3110 | 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 | 50200 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.71 x 105 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.26 x 105 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.34 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.34 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 2.29 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 1.88 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 68000 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 11200 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 3260 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.67 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.21 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.33 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.34 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.34 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.33 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 7.25 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.80 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 6.02 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 5.49 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 7.344± 0.723 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 2.7 x 10-6 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.2 x 10-5 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 x 10-6 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 2.8 x 10-6 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 9.6 x 10-6 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.7 x 10-5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.9 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.4 x 10-6 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 3.9 x 10-9 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.8 x 10-8 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 5.4 x 10-9 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.1 x 10-9 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.0 x 10-9 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.0 x 10-9 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 4.0 x 10-9 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.9 x 10-9 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.4 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 8.3 x 10-8 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.8 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.9 x 10-9 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 687.74 | ||
| 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 | 1.32± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 518.5± 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 | 12 | (1) ACD | |
| H Masu karɓa | 12 | (1) ACD | |
| H Masu Ba da taimako | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 7.344± 0.723 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 687.74 |
(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 | 139 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
Spectra akwai
13C NMR
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