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)

imveliso

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)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

251647-55-9

H302

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 914.00 -
pKa (Kuxelwe kwangaphambili) 9.16±0.20 Owona bushushu be-Acidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical

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

Isomeric UNCUMA

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

Isitshixo se-InchI

I-LADCDGNEBIQAAU-SBCRAQIVSA-N

17 Amanye Amagama ale Nxibelelwano

IGuanosine, 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 IPHEPHA: 20 ibango lolandelelwano; 18: PN: US20030211606 IPHEPHA: 20

ibango lolandelelwano; 19: PN: US20040005569 IPHEPHA: 22 ibango lolandelelwano; 21: PN: US20040006030 IPHEPHA: 23 ibango lolandelelwano; 21: PN: US20040014047 IPHEPHA: 21 ibango lolandelelwano; 21: PN: US20040014049 IPHEPHA: 21 ibango lolandelelwano; 22: PN: US20030198965 PAG

E: 20 ibango lolandelelwano; 22: PN: US20040005570 IPHEPHA: 21 ibango lolandelelwano; 22: PN: US20040014048 IPHEPHA: 21 ibango lolandelelwano;

22: PN: US20040014050 IPHEPHA: 21 ibango lolandelelwano; 23: PN: US20040005565 IPHEPHA: 17- 22 ibango lolandelelwano; 23: PN: US20040

014051 IPHEPHA: 23 ibango lolandelelwano; 24: PN: US20040014699 IPHEPHA: 21 ibango lolandelelwano; 25: PN: US20040006029 IPHEPHA: 23 ibango lolandelelwano; 25: PN: WO03106645 IPHEPHA: 73 ibango lolandelelwano; 96: PN: US20040005707 IPHEPHA: 21 ibango lolandelelwano

ISpectra yoMfuniselo

ISpectra ekhoyo
13 C NMR
Hetero NMR

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo olunxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 121 pH 1; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2580 pH 2; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 23500 pH 3; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 71800 pH 4; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 89800 pH 5; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 92100 pH 6; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 91300 pH 7; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 82500 pH 8; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 42200 pH 9; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 7860 pH 10; Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 164 pH 1; Ubushushu: 25 °C (1) ACD
Koc 3480 pH 2; Ubushushu: 25 °C (1) ACD
Koc 31700 pH 3; Ubushushu: 25 °C (1) ACD
Koc 96900 pH 4; Ubushushu: 25 °C (1) ACD
Koc 1.21 x 105 pH 5; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 1.24 x 105 pH 6; Ubushushu: 25 °C (1) ACD
Koc 1.23 x 105 pH 7; Ubushushu: 25 °C (1) ACD
Koc 1.11 x 105 pH 8; Ubushushu: 25 °C (1) ACD
Koc 56900 pH 9; Ubushushu: 25 °C (1) ACD
Koc 10600 pH 10; Ubushushu: 25 °C (1) ACD
logD 3.95 pH 1; Ubushushu: 25 °C (1) ACD
logD 5.28 pH 2; Ubushushu: 25 °C (1) ACD
logD 6.24 pH 3; Ubushushu: 25 °C (1) ACD
logD 6.73 pH 4; Ubushushu: 25 °C (1) ACD
logD 6.82 pH 5; Ubushushu: 25 °C (1) ACD
logD 6.83 pH 6; Ubushushu: 25 °C (1) ACD
logD 6.83 pH 7; Ubushushu: 25 °C (1) ACD
logD 6.79 pH 8; Ubushushu: 25 °C (1) ACD
logD 6.50 pH 9; Ubushushu: 25 °C (1) ACD
logD 5.77 pH 10; Ubushushu: 25 °C (1) ACD
logP 6.837±0.764 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 4.4 x 10-4 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.34 g/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.016 g/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.7 x 10-3 g/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.7 x 10-4 g/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.6 x 10-4 g/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.4 x 10-4 g/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.5 x 10-4 g/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.9 x 10-4 g/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.0 x 10-3 g/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.2 x 10-3 g/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.5 x 10-4 g/L Amanzi angaphazanyiswanga pH 6.99; Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 4.8 x 10-7 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.7 x 10-4 mol/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.7 x 10-5 mol/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.9 x 10-6 mol/L pH 3; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 6.2 x 10-7 mol/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.0 x 10-7 mol/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.8 x 10-7 mol/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.9 x 10-7 mol/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.4 x 10-7 mol/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.1 x 10-6 mol/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.7 x 10-6 mol / L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.9 x 10-7 mol/L Amanzi angaphazanyiswanga pH 6.99; Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 914.00    
pKa 9.16±0.20 Owona bushushu be-Acidic Temp: 25 °C (1) ACD
pKa 3.45±0.70 Eyona Tempile iSiseko: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 22   (1) ACD
H Abamkeli 17   (1) ACD
H Abaxhasi 2   (1) ACD
H Umnikeli/uMamkeli Isambuku 19   (1) ACD
logP 6.837±0.764 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 914.00    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo olunxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 203 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1 H NMR
13 C NMR

Iingxelo ze-GHS zobungozi

Umthombo weNgxelo yoBubungozi beKhowudi
H302 Kuyingozi ukuba iginyiwe UHlelo lwe-Arhente yeMichiza yaseYurophu (ECHA) kunye nokuFakwa kweLebhile

I-Inventory - Ukuhlelwa kokwaziswa kunye nokuleyibheli-izaziso eziqhelekileyo, i-Arhente yeMichiza yaseYurophu (ECHA)

UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibhelishwa - ezona zaziso zinobuzaza


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