C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 669.72 | - |
Girma (An annabta) | 1.35± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
pKa (An annabta) | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3OC
MURMUSHI
C (OC[C@H] 1O[C@H]([C@H] (OC)[C@@H] 1O) N2C3=C C(C)C=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
= CC=C6
InChi
InChi=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5) 29 (42)27 (49-34)19-48-36 (22-9-7-6-8-10-2 2,23-11-15-25 (45-3)16-12-23)24 -13-17-26(46-4)18-14-24/h6-18,20-21,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40, 43,44)/t27-,29-,30-,34
-/m1/s1
InChi Key
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Wani Sunan Wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyl-N- (2-methyl-1-oxopropyl) guanosine (ACI)
Properties akwai |
Halittu |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 797 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2030 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2400 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2450 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2450 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2450 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2420 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2170 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1070 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 195 | 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 | 3020 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 7680 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 9100 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 9270 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 9290 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 9280 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 9170 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 8220 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 4050 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 737 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 4.27 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 4.68 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
logD | 4.75 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 4.76 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 4.76 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 4.76 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 4.76 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 4.71 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 4.40 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 3.66 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 4.763± 0.722 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.1 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.4 x 10-4 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.7 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.5 x 10-4 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 7.4 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.9 x 10-3 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 4.6 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-6 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.5 x 10-7 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.7 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.6 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.6 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.6 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.6 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.2 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-6 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.8 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 4.6 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 6.99; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 669.72 | ||
pKa | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 1.73± 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 | 1.35± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 494.4± 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 | 13 | (1) ACD | |
H Masu Ba da taimako | 3 | (1) ACD | |
H Donor/Acceptor Sum | 16 | (1) ACD | |
logP | 4.763± 0.722 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 669.72 |
(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 | 155 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