C13H19N5O6 Guanosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)

imveliso

C13H19N5O6 Guanosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

473278-54-5

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 341.32 -
Indawo yokuBila (Kuqikelelwe) 715.0±70.0 °C Cinezela: 760 Torr
Ukuxinana (Kuqikelelwe) 1.81±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 13.20±0.70 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical

O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC

Isomeric UNCUMA

O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3

InChi

InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9- ,12-/m1/s1

Isitshixo se-InchI

DLLBJSLIKOKFHE-WOUKDFQISA-N

1 Elinye iGama lesi Sithombo

2′-O-(2-Methoxyethyl)guanosine (ACI)

Iipropati ezikhoyo
I-Optical kunye nokusabalalisa
Thermal

I-Optical kunye ne-Scatering

Ipropati Ixabiso Imeko Umthombo
Amandla ajikelezayo okukhanya -51 deg-mL/g-dm c: 1.4 g/100ml;Ukunyibilikisa: Dichloromethane;λ: 589.3 nm;Ubushushu: 25 °C (1) I-CAS
Amandla ajikelezayo okukhanya Jonga iSibhalo esipheleleyo   (2) CAS

(1) Wen, Ke;Ijenali ye-Organic Chemistry, (2002), 67(22), 7887-7889, CAplus

(2) Wen, Ke;Ijenali ye-Organic Chemistry, (2002), 67(22), 7887-7889, CAplus

Thermal

Ipropati Ixabiso Umthombo wemeko
Indawo yokunyibilika Jonga iSibhalo esipheleleyo (1) I-CAS

(1) Taj, Shabbir Ali S.;IiNucleosides, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus

ISpectra yoMfuniselo

ISpectra ekhoyo
1 H NMR
13 C NMR
IR

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo
Thermal

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1.0 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 4;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1.0 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 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 1.0 pH 1;Ubushushu: 25 °C (1) ACD
Koc 1.0 pH 2;Ubushushu: 25 °C (1) ACD
Koc 4.27 pH 3;Ubushushu: 25 °C (1) ACD
Koc 8.49 pH 4;Ubushushu: 25 °C (1) ACD
Koc 9.43 pH 5;Ubushushu: 25 °C (1) ACD
Koc 9.54 pH 6;Ubushushu: 25 °C (1) ACD
Koc 9.55 pH 7;Ubushushu: 25 °C (1) ACD
Koc 9.55 pH 8;Ubushushu: 25 °C (1) ACD
Koc 9.55 pH 9;Ubushushu: 25 °C (1) ACD
Koc 9.54 pH 10;Ubushushu: 25 °C (1) ACD
logD -2.65 pH 1;Ubushushu: 25 °C (1) ACD
logD -1.84 pH 2;Ubushushu: 25 °C (1) ACD
logD -1.08 pH 3;Ubushushu: 25 °C (1) ACD
logD -0.78 pH 4;Ubushushu: 25 °C (1) ACD
logD -0.74 pH 5;Ubushushu: 25 °C (1) ACD
logD -0.73 pH 6;Ubushushu: 25 °C (1) ACD
logD -0.73 pH 7;Ubushushu: 25 °C (1) ACD
logD -0.73 pH 8;Ubushushu: 25 °C (1) ACD
logD -0.73 pH 9;Ubushushu: 25 °C (1) ACD
logD -0.73 pH 10;Ubushushu: 25 °C (1) ACD
logP -0.730±0.568 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 0.44 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 38 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.5 g/L pH 2;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kobuninzi 0.96 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.48 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.44 g/L Amanzi angaphazanyiswanga pH 7.20;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.3 x 10-3 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.11 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.016 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.8 x 10-3 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.4 x 10-3 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-3 mol/L Amanzi angaphazanyiswanga pH 7.20;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 341.32    
pKa 13.20±0.70 Eyona Temp iAcidic Temp: 25 °C (1) ACD
pKa 3.00±0.20 Eyona Tempile iSiseko: 25 °C (1) ACD
Uxinzelelo lomphunga 1.86 x 10-21 Torr Ubushushu: 25 °C (1) ACD

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

Ukuxinana

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 1.81±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 188.5±7.0 cm3/mol Ubushushu: 20 °C;Cinezela: 760 Torr (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 8   (1) ACD
H Abamkeli 11   (1) ACD
H Abaxhasi 5   (1) ACD
H Umnikeli/uMamkeli Isambuku 16   (1) ACD
logP -0.730±0.568 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 341.32    

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

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 153 A2 (1) ACD

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

Thermal

Ipropati Ixabiso Imeko Umthombo
Indawo yokubilisa 715.0±70.0 °C Cinezela: 760 Torr (1) ACD
I-Enthalpy yoMphunga 109.72±3.0 kJ/mol Cinezela: 760 Torr (1) ACD
Indawo yokuflasha 386.2±35.7 °C   (1) ACD

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

ISpectra eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR


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