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)
Inombolo yoBhaliso yeCAS
251647-55-9
H302
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 914.00 | - |
pKa (Kuxelwe kwangaphambili) | 9.16±0.20 | Eyona Temp iAcidic Temp: 25 °C |
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(33-14-11-10-12-15-33,34-16-20-3) 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
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 ekhoyo
13 C NMR
Hetero NMR
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo olunxulumeneyo
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)
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 | Eyona Temp iAcidic 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)
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)
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 ekhoyo
1 H NMR
13 C NMR
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 |