![C45H56N7O9P Guanosine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramide] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C45H56N7O9P Guanosine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) Featured duab](https://cdn.globalso.com/nvchem/C45H56N7O9P.png)
C45H56N7O9P Guanosine, 5′ -O- [bis (4-methoxyphenyl)phenylmethyl] -2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramide] (ACI)
CAS Registry Number
150780-67-9
H303
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 869.94 ib | - |
| pKa (Predicted) | 9.16 ± 0.20 | Feem ntau acidic kub: 25 ° C |
N#CCOP(OC1C(OC(N2C=NC=3C(=O)N=C(NC(=O)C(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
Isomeric SMILES
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ 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-) XYOO
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34( 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 Lwm Lub Npe rau Cov Khoom no
Guanosine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Spectra muaj
13 C NMR
Hetero NMR
Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Lipinski
Cov qauv ntsig txog
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 183 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 3890 | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 3 5500 | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.08 x 105 | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.36 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.39 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.38 x 105 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.24 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 63600 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 11900 Nws | pH 10; Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 220 | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | ib 4680 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 4 2600 | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 1.30 x 105 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 1.63 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 1.67 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 1.65 x 105 hli | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 1.49 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 7 6400 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 14200 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 4.19 ib | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 5.52 ib | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 6.48 ib | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 6.96 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 7.06 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 7.07 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 7.07 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 7.02 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 6.73 ib | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 6.00 Nws | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 7.072 ± 0.721 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.2 x 10-4 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.096 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.3 x 10-3 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.8 x 10-4 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.6 x 10-4 g/L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.2 x 10-4 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.2 x 10-4 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.2 x 10-4 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.4 x 10-4 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 2.7 x 10-4 g/L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.4 x 10-3 g/L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.2 x 10-4 g / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.4 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.0 x 10-6 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.5 x 10-7 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-7 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 1.4 x 10-7 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.1 x 10-7 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-6 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-7 mol / L | Unbuffered Dej pH 7.00; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 869.94 ib | ||
| pKa | 9.16 ± 0.20 | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 3.45 ± 0.70 | Qhov kub thiab txias tshaj plaws: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 19 | (1) ACD | |
| H Txais | 16 | (1) ACD | |
| H Pub | 2 | (1) ACD | |
| H Pub/Acceptor Sum | 18 | (1) ACD | |
| logP | 7.072 ± 0.721 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 869.94 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Cov xwm txheej Source |
| Polar Surface Area | 194 A 2 | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra muaj
1 H NMR
13 C NMR
| Code | Nqe Lus Tshaj Tawm Txog Hazard | Qhov chaw |
| H303 | Tej zaum yuav muaj teeb meem yog tias nqos tau | Kws muaj txuj Curated |
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