![C47H60N7O10P Guanosine, 5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-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)
![C47H60N7O10P Guanosine, 5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′- [2-cyanoethyl N , N-bis (1-methylethyl)phosphoramidite] (ACI) Cov duab tshwj xeeb](https://www.csnvchem.com/uploads/C47H60N7O10P-Guanosine.png)
C47H60N7O10P Guanosine, 5' -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′- [2-cyanoethyl N N-bis (1-methylethyl) phosphoramide] (ACI)
CAS Registry Number
251647-55-9
H302
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 914.00 Nws | - |
| pKa (Predicted) | 9.16 ± 0.20 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES
N#CCOP(OC1C(OC(N2C=NC=3C(=O)N=C(NC(=O)C(C)C)C)NC32)C1OCCOC)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](OCCOC)[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/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27- 26-57-7)40(64-65(62-25-13-24-48)54(31(3)4)32(5)6)38(63-45)28-61-47(33- 14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10- 12,14-23,29-32,38,40-41,45H,13,25-28H2,1-9H3,(H2,50,51,52,55,56) /t38-,40-,41- ,45-,65?/m1/s1
InChI Key
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Lwm lub npe rau cov khoom no
Guanosine, 5'-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI); 17: PN: US20030212017 PAGE: 20 thov ib ntus; 18: PIB: US20030211606 PAGE: 20
thov ib ntus; 19: PN: US20040005569 PAGE: 22 thov ib ntus; 21: PN: US20040006030 PAGE: 23 thov ib ntus; 21: PN: US20040014047 PAGE: 21 thov ib ntus; 21: PN: US20040014049 PAGE: 21 thov ib ntus; 22: PIB: US20030198965 PAG
E: 20 thov ib ntus; 22: PN: US20040005570 PAGE: 21 thov ib ntus; 22: PN: US20040014048 PAGE: 21 thov ib ntus;
22: PN: US20040014050 PAGE: 21 thov ib ntus; 23: PN: US20040005565 PAGE: 17- 22 thov ib ntus; 23: PIB: US20040
014051 PAGE: 23 thov ib ntus; 24: PN: US20040014699 PAGE: 21 thov ib ntus; 25: PN: US20040006029 PAGE: 23 thov ib ntus; 25: PN: WO03106645 PAGE: 73 thov ib ntus; 96: PN: US20040005707 PAGE: 21 thov ib ntus
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 | 121 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2580 ua | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 23500 Nws | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 71800 ib | pH 4; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 8 9800 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 9 2100 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 9 1300 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 8 2500 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 42200 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | ib 7860 | 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 | 164 | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | ib 3480 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 3 1700 | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 9 6900 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 1.21 x 105 | pH 5; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 1.24 x 105 | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 1.23 x 105 | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 1.11 x 105 | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 5 6900 | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 10600 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logD | 3.95 ib | pH 1; Kub: 25 ° C | (1) ACD |
| logD | 5.28 ib | pH 2; Kub: 25 ° C | (1) ACD |
| logD | 6.24 ib | pH 3; Kub: 25 ° C | (1) ACD |
| logD | 6.73 ib | pH 4; Kub: 25 ° C | (1) ACD |
| logD | 6.82 ib | pH 5; Kub: 25 ° C | (1) ACD |
| logD | 6.83 ib | pH 6; Kub: 25 ° C | (1) ACD |
| logD | 6.83 ib | pH 7; Kub: 25 ° C | (1) ACD |
| logD | 6.79 ib | pH 8; Kub: 25 ° C | (1) ACD |
| logD | 6.50 Nws | pH 9; Kub: 25 ° C | (1) ACD |
| logD | 5.77 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logP | 6.837 ± 0.764 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 4.4 x 10-4 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.34 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.016 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.7 x 10-3 g/L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.7 x 10-4 g/L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.6 x 10-4 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.4 x 10-4 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.5 x 10-4 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.9 x 10-4 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.0 x 10-3 g/L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.2 x 10-3 g / L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 4.5 x 10-4 g / L | Unbuffered Dej pH 6.99; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 4.8 x 10-7 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-5 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.9 x 10-6 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Molar Solubility | 6.2 x 10-7 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.0 x 10-7 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.8 x 10-7 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.9 x 10-7 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.4 x 10-7 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 5.7 x 10-6 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.9 x 10-7 mol / L | Unbuffered Dej pH 6.99; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 914.00 Nws | ||
| 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 | 22 | (1) ACD | |
| H Txais | 17 | (1) ACD | |
| H Pub | 2 | (1) ACD | |
| H Pub/Acceptor Sum | 19 | (1) ACD | |
| logP | 6.837 ± 0.764 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 914.00 Nws |
(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 | 203A 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 Hazard Statement Source | |
| H302 Ua phem yog tias nqos | European Chemical Agency (ECHA) Classification & Labelling Cov Khoom Muag - Cov ntawv ceeb toom kev faib tawm thiab kev sau npe - cov ntawv ceeb toom feem ntau, European Chemical Agency (ECHA) Classification & Labelling Inventory - Ceeb toom kev faib tawm thiab sau npe - cov ntawv ceeb toom loj tshaj plaws |
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