C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

imveliso

C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- 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

150780-67-9

H303

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 869.94 -
pKa (Kuxelwe kwangaphambili) 9.16±0.20 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)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](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-)

46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34( 55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1

Isitshixo se-InchI

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Elinye iGama lesi Sithombo

IGuanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI)

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 183 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 3890 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 35500 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.08 x 105 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.36 x 105 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.39 x 105 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.38 x 105 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.24 x 105 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 63600 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 11900 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 220 pH 1;Ubushushu: 25 °C (1) ACD
Koc 4680 pH 2;Ubushushu: 25 °C (1) ACD
Koc 42600 pH 3;Ubushushu: 25 °C (1) ACD
Koc 1.30 x 105 pH 4;Ubushushu: 25 °C (1) ACD
Koc 1.63 x 105 pH 5;Ubushushu: 25 °C (1) ACD
Koc 1.67 x 105 pH 6;Ubushushu: 25 °C (1) ACD
Koc 1.65 x 105 pH 7;Ubushushu: 25 °C (1) ACD
Koc 1.49 x 105 pH 8;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 76400 pH 9;Ubushushu: 25 °C (1) ACD
Koc 14200 pH 10;Ubushushu: 25 °C (1) ACD
logD 4.19 pH 1;Ubushushu: 25 °C (1) ACD
logD 5.52 pH 2;Ubushushu: 25 °C (1) ACD
logD 6.48 pH 3;Ubushushu: 25 °C (1) ACD
logD 6.96 pH 4;Ubushushu: 25 °C (1) ACD
logD 7.06 pH 5;Ubushushu: 25 °C (1) ACD
logD 7.07 pH 6;Ubushushu: 25 °C (1) ACD
logD 7.07 pH 7;Ubushushu: 25 °C (1) ACD
logD 7.02 pH 8;Ubushushu: 25 °C (1) ACD
logD 6.73 pH 9;Ubushushu: 25 °C (1) ACD
logD 6.00 pH 10;Ubushushu: 25 °C (1) ACD
logP 7.072±0.721 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 1.2 x 10-4 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.096 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.3 x 10-3 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.8 x 10-4 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.6 x 10-4 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.2 x 10-4 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.2 x 10-4 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.2 x 10-4 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.4 x 10-4 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.7 x 10-4 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.4 x 10-3 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.2 x 10-4 g/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.4 x 10-7 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.1 x 10-4 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.0 x 10-6 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.5 x 10-7 mol / L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.8 x 10-7 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.4 x 10-7 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.4 x 10-7 mol/L pH 6;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 1.4 x 10-7 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.6 x 10-7 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.1 x 10-7 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.6 x 10-6 mol / L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.4 x 10-7 mol/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 869.94    
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)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 19   (1) ACD
H Abamkeli 16   (1) ACD
H Abaxhasi 2   (1) ACD
H Umnikeli/uMamkeli Isambuku 18   (1) ACD
logP 7.072±0.721 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 869.94    

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

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 194 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

Ikhowudi Ingxelo yobungozi Umthombo
H303 Inokuba yingozi xa iginyiwe Ingcaphephe iCandwe

  • Ngaphambili:
  • Okulandelayo:

  • Bhala umyalezo wakho apha kwaye uwuthumele kuthi