C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)

imveliso

C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

2140-79-6

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 281.27 -
Indawo yokunyibilika (yoMfuniselo) 204-206 °C -
Indawo yokuBila (Kuqikelelwe) 623.8±65.0 °C Cinezela: 760 Torr
Ukuxinana (Kuqikelelwe) 1.84±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 13.13±0.70 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical

OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O

Isomeric UNCUMA

O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O

InChi

InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6) 16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1

Isitshixo se-InchI

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Amanye Amagama ale nto

2′-O-Methyladenosine (ACI);Cordysinin B

Iipropati zoMfuniselo

Iipropati ezikhoyo
Thermal

Ipropati Ixabiso Umthombo wemeko
Indawo yokunyibilika 204-206 °C (1) I-CAS

(1) uMartinez-Montero, uSaul;Ijenali yaseYurophu ye-Organic Chemistry, (2009) (19), 3265-3271, S3265/1-S3265/23, CAplus

ISpectra yoMfuniselo

ISpectra ekhoyo
1 H NMR
13 C NMR
IR
IMisa

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
I-Bioconcentration Factor 1.78 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.97 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 9;Ubushushu: 25 °C (1) ACD

 

Umthombo wemeko yeXabiso lePropati
I-Bioconcentration Factor 1.99 pH 10;Temp: 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 4.54 pH 3;Ubushushu: 25 °C (1) ACD
Koc 26.0 pH 4;Ubushushu: 25 °C (1) ACD
Koc 51.0 pH 5;Ubushushu: 25 °C (1) ACD
Koc 56.4 pH 6;Ubushushu: 25 °C (1) ACD
Koc 57.0 pH 7;Ubushushu: 25 °C (1) ACD
Koc 57.1 pH 8;Ubushushu: 25 °C (1) ACD
Koc 57.1 pH 9;Ubushushu: 25 °C (1) ACD
Koc 57.0 pH 10;Ubushushu: 25 °C (1) ACD
logD -1.70 pH 1;Ubushushu: 25 °C (1) ACD
logD -1.25 pH 2;Ubushushu: 25 °C (1) ACD
logD -0.40 pH 3;Ubushushu: 25 °C (1) ACD
logD 0.36 pH 4;Ubushushu: 25 °C (1) ACD
logD 0.65 pH 5;Ubushushu: 25 °C (1) ACD
logD 0.69 pH 6;Ubushushu: 25 °C (1) ACD
logD 0.70 pH 7;Ubushushu: 25 °C (1) ACD
logD 0.70 pH 8;Ubushushu: 25 °C (1) ACD
logD 0.70 pH 9;Ubushushu: 25 °C (1) ACD
logD 0.70 pH 10;Ubushushu: 25 °C (1) ACD
logP 0.697±0.596 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 3.7 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 886 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 309 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 45 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 7.9 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.9 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 g/L pH 7;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kobuninzi 3.7 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 g/L Amanzi angaphazanyiswanga pH 8.07;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 0.013 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.15 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.10 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.16 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.028 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.014 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L Amanzi angaphazanyiswanga pH 8.07;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 281.27    
pKa 13.13±0.70 Eyona Temp iAcidic Temp: 25 °C (1) ACD
pKa 3.82±0.10 Eyona Tempile iSiseko: 25 °C (1) ACD
Uxinzelelo lomphunga 2.02 x 10-16 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 1.84±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 152.5±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 Umthombo wemeko
Iibhondi eziGuquguqukayo ngokukhululekileyo 5 (1) ACD
H Abamkeli 9 (1) ACD
H Abaxhasi 4 (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
H Umnikeli/uMamkeli Isambuku 13   (1) ACD
logP 0.697±0.596 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 281.27    

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

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 129 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 623.8±65.0 °C Cinezela: 760 Torr (1) ACD
I-Enthalpy yoMphunga 97.11±3.0 kJ/mol Cinezela: 760 Torr (1) ACD
Indawo yokuflasha 331.0±34.3 °C   (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

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