C45H56N7O9P Guanosin, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)
Lambar Rijistar CAS
150780-67-9
H303
Mabuɗin Abubuwan Jiki | Daraja | Yanayi |
Nauyin Kwayoyin Halitta | 869.94 | - |
pKa (An annabta) | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC) =C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C
MURMUSHI
C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3(C4=CC=C(OC) C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi= 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38 (61-62 (59-25-13-24-)
46)52 (29 (3)4)30 (5)6)36 (60-43)26-58-45 (31-14-11-10-12-15-31,32-1) 6-20-34 (55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1
InChi Key
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Wani Sunan Wannan Abu
Guanosin, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-N(2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Spectra akwai
13 C NMR
Farashin NMR
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Yanayi | Source |
Factor na Bioconcentration | 183 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 3890 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 35500 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.08 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.36 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.39 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.38 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 1.24 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 63600 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 11900 | 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)
Dukiya | Daraja | Yanayi | Source |
Koc | 220 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 4680 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 42600 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.30 x 105 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.63 x 105 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.67 x 105 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.65 x 105 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 1.49 x 105 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Koc | 76400 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 14200 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 4.19 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 5.52 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 6.48 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 6.96 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 7.06 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 7.07 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 7.07 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 7.02 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 6.73 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 6.00 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 7.072± 0.721 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 1.2 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.096 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.3 x 10-3 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.8 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.6 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.4 x 10-4 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.7 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.4 x 10-3 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 1.4 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.0 x 10-6 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.5 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.8 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Yanayi | Source |
Solubility na Molar | 1.4 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.1 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 869.94 | ||
pKa | 9.16 ± 0.20 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.45± 0.70 | 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)
Dukiya | Daraja | Yanayi | Source |
Ƙimar Rarraba Kyauta | 19 | (1) ACD | |
H Masu karɓa | 16 | (1) ACD | |
H Masu Ba da taimako | 2 | (1) ACD | |
H Donor/Acceptor Sum | 18 | (1) ACD | |
logP | 7.072± 0.721 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 869.94 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Tushen yanayi |
Wuri Mai Girma | 194 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
1 H NMR
13 C NMR
Lambar | Bayanin Hazard | Source |
H303 | Zai iya zama cutarwa idan an haɗiye shi | Kwararren Kwararren |