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)

vokatra

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)

Fampahafantarana fototra:


Product Detail

Tags vokatra

Tsipirian'ny akora

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

Anarana sy famantarana hafa

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(33-14-11-10-12-15-33,34-16-20-3 6(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 filaharana voalaza; 96: PN: US20040005707 PEJY: laharana 21 voalaza

Spectra andrana

Spectra misy
13 C NMR
Hetero NMR

Properties vinavinaina

Properties misy
niteraka
simika
Lipinski
Structure Related

niteraka

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)

simika

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)

Lipinski

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)

Structure Related

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 vinavina

Spectra misy
1 H NMR
13 C NMR

Fanambarana lozan'ny GHS

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


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