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

umkhiqizo

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

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

2140-79-6

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 281.27 -
I-Melting Point (Eyokuhlola) 204-206 °C -
Iphoyinti lokubilisa (elibikezelwe) 623.8±65.0 °C Cindezela: 760 Torr
Ukuminyana (Kubikezelwe) 1.84±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr
pKa (Kubikezelwe) 13.13±0.70 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical SMILES

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

I-Isomeric SMILES

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

I-InChI

I-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

Ukhiye we-InchI

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Amanye Amagama Alesi Sitho

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

Izakhiwo Zokuhlola

Izakhiwo ezitholakalayo
Okushisayo

Impahla Inani Umthombo Wesimo
I-Melting Point 204-206 °C (1) I-CAS

(1) uMartinez-Montero, uSaul;I-European Journal of Organic Chemistry, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus

I-Spectra yokuhlola

I-Spectra iyatholakala
1 H NMR
13 C NMR
IR
IMisa

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo
Okushisayo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 1.0 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.78 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.97 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.99 pH 9;Izinga lokushisa: 25 °C (1) ACD

 

Umthombo Wesimo Sendawo Yenani
I-Bioconcentration Factor 1.99 pH 10;Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 1.0 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
Koc 1.0 pH 2;Izinga lokushisa: 25 °C (1) ACD
Koc 4.54 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
Koc 26.0 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
Koc 51.0 pH 5;Izinga lokushisa: 25 °C (1) ACD
Koc 56.4 pH 6;Izinga lokushisa: 25 °C (1) ACD
Koc 57.0 pH 7;Izinga lokushisa: 25 °C (1) ACD
Koc 57.1 pH 8;Izinga lokushisa: 25 °C (1) ACD
Koc 57.1 pH 9;Izinga lokushisa: 25 °C (1) ACD
Koc 57.0 pH 10;Izinga lokushisa: 25 °C (1) ACD
logD -1.70 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
logD -1.25 pH 2;Izinga lokushisa: 25 °C (1) ACD
logD -0.40 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
logD 0.36 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
logD 0.65 pH 5;Izinga lokushisa: 25 °C (1) ACD
logD 0.69 pH 6;Izinga lokushisa: 25 °C (1) ACD
logD 0.70 pH 7;Izinga lokushisa: 25 °C (1) ACD
logD 0.70 pH 8;Izinga lokushisa: 25 °C (1) ACD
logD 0.70 pH 9;Izinga lokushisa: 25 °C (1) ACD
logD 0.70 pH 10;Izinga lokushisa: 25 °C (1) ACD
logP 0.697±0.596 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 3.7 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 886 g/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 309 g/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 45 g/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 7.9 g/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.9 g/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 g/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 g/L pH 7;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Mass Solubility 3.7 g/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 g/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 g/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 g/L Amanzi Angavinjelwe pH 8.07;Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 0.013 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.15 mol/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.10 mol/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.16 mol/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.028 mol/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.014 mol/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L Amanzi Angavinjelwe pH 8.07;Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 281.27    
pKa 13.13±0.70 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa 3.82±0.10 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD
I-Vapor Pressure 2.02 x 10-16 Torr Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ukuminyana

Impahla Inani Isimo Umthombo
Ukuminyana 1.84±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 152.5±7.0 cm3/mol Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Lipinski

Impahla Inani Umthombo Wesimo
Amabhondi Ashintshashintshayo Ngokukhululekile 5 (1) ACD
H Abamukelayo 9 (1) ACD
H Abaxhasi 4 (1) ACD

 

Impahla Inani Isimo Umthombo
H Isamba Somnikeli/Umamukeli 13   (1) ACD
logP 0.697±0.596 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 281.27    

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani Umthombo Wesimo
Indawo ye-Polar Surface 129 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okushisayo

Impahla Inani Isimo Umthombo
Iphuzu elibilayo 623.8±65.0 °C Cindezela: 760 Torr (1) ACD
I-Enthalpy ye-Vaporization 97.11±3.0 kJ/mol Cindezela: 760 Torr (1) ACD
I-Flash Point 331.0±34.3 °C   (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala
1 H NMR
13 C NMR

Izitatimende Zengozi ye-GHS

Ikhodi Isitatimende Sengozi Umthombo
H303 Ingase ibe yingozi uma igwinywe Uchwepheshe Ukhethiwe

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