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)
CAS rejistra laharana
251647-55-9
H302
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 914.00 | - |
pKa (voavinavina) | 9.16±0.20 | Mafana asidra indrindra: 25 °C |
Canonical SMILES
N#CCCOP(OC1C(OC(N2C= NC=3C(=O))N=C(NC(=O)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
SMILES Isomerique
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 Anarana hafa ho an'ity akora ity
Guanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1- methylethyl)phosphoramide] (9CI); 17: PN: US20030212017 PEJY: 20 voalaza filaharana; 18: PN: US20030211606 PEJY: 20
filaharana voalaza; 19: PN: US20040005569 PEJY: laharana 22 voalaza; 21: PN: US20040006030 PEJY: 23 voalaza filaharana; 21: PN: US20040014047 PEJY: 21 voalaza filaharana; 21: PN: US20040014049 PEJY: 21 voalaza filaharana; 22: PN: US20030198965 PAG
E: 20 voalaza filaharana; 22: PN: US20040005570 PEJY: 21 voalaza filaharana; 22: PN: US20040014048 PEJY: 21 voalaza filaharana;
22: PN: US20040014050 PEJY: 21 voalaza filaharana; 23: PN: US20040005565 PEJY: 17- 22 filaharana voalaza; 23: PN: US20040
014051 PEJY: 23 voalaza filaharana; 24: PN: US20040014699 PEJY: 21 voalaza filaharana; 25: PN: US20040006029 PEJY: 23 voalaza filaharana; 25: PN: WO03106645 PEJY: 73 voalaza filaharana; 96: PN: US20040005707 PEJY: laharana 21 voalaza
Spectra misy
13 C NMR
Hetero NMR
Properties misy
niteraka
simika
Lipinski
Structure Related
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 121 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 2580 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 23500 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 71800 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 89800 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 92100 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 91300 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 82500 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 42200 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 7860 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 164 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1.24 x 105 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Mafana: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Mafana: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Mafana: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Mafana: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Mafana: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Mafana: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Mafana: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Mafana: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Mafana: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Mafana: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Mafana: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Mafana: 25 °C | (1) ACD |
logP | 6,837±0,764 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 4,4 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 0,34 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 0,016 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 1,7 x 10-3 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,7 x 10-4 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,6 x 10-4 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,4 x 10-4 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,5 x 10-4 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,9 x 10-4 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 1,0 x 10-3 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,2 x 10-3 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,5 x 10-4 g/L | Rano tsy voaaro pH 6.99; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 4,8 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 3,7 x 10-4 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,7 x 10-5 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,9 x 10-6 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 6,2 x 10-7 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,0 x 10-7 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 4,8 x 10-7 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
Molar Solubility | 4,9 x 10-7 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,4 x 10-7 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,1 x 10-6 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 5,7 x 10-6 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 4,9 x 10-7 mol/L | Rano tsy voaaro pH 6.99; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 914.00 | ||
pKa | 9.16±0.20 | Mafana asidra indrindra: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana azo ahodina malalaka | 22 | (1) ACD | |
H Acceptors | 17 | (1) ACD | |
H Mpanome | 2 | (1) ACD | |
H Donor/Acceptor Sum | 19 | (1) ACD | |
logP | 6,837±0,764 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 914.00 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
NY FANANANA | sarobidy | Loharanon'ny toe-javatra |
Faritra ambonin'ny polar | 203 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1 H NMR
13 C NMR
Loharanon'ny fanambarana loza mitatao | |
H302 Manimba raha atelina | Fanasokajiana & fametahana marika Eoropeana Chemical Agency (ECHA). Inventory - Fanasokajiana sy fametahana fampandrenesana - fampandrenesana mahazatra indrindra, European Chemical Agency (ECHA) Fanasokajiana & fametahana marika - Fanasokajiana sy fametahana marika - fampandrenesana lehibe indrindra |