C11H15N5O5 Guanosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI);

product

C11H15N5O5 Guanosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI);

Basic notitia:


Product Detail

Product Tags

Substantia Detail

CAS Subcriptio Number

2140-71-8

Key Physical Properties Precium Conditio
M. Pondus 297.27 -
Liquefactio Point (Experimentalis) 233-235 °C Solvendo: Methanol
Densitas (Predicted) 1.98±0.1 g/cm3 Temp: 20 °C;Press: 760 Torr
pKa (Predicta) 9.64±0.20 Most acidic Temp: 25 °C

Alia nomina et Identifiers

CANONICI SMILES

O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC

Isomeric SMILES

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

InChI'

InChI= 1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9( 5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19) /t4-,6-,7-,10-/m1/s1

InChI Key

OVYNGSFVYRPRCG-KQYNXXCUSA-N

1 Alii nomen huic substantiae

2′ -O-Methylguanosine (ACI)

Properties praesto
Chemical
Scelerisque

Chemical

Property Valorem Condition Source
pKa 9.5 (1) CAS

(1) Bhamra, Inder;Acidum nucleicum Research,

Scelerisque

Property Precium Conditio Source
Liquescens punctum 233-235 °C Solvendo: Methanol (1) CAS

(1) Kore, Anilkumar R.;Nucleosides, Nucleotides & Acides Nucleicae;

Spectra Experimentalis

Spectra praesto
1 H NMR
13 C NMR
Mass

Praedicta Properties

Properties praesto
Biological
Chemical
Density
Lipinski
Structure Related

Biological

Property Precium Conditio Source
Bioconcentration Factor 1.0 pH 1;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 2;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 3;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 4;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 5;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 6;Temp: 25 °C (1) ACD

 

Property Precium Conditio Source
Bioconcentration Factor 1.0 pH 7;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 8;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 9;Temp: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 10;Temp: 25 °C (1) ACD

(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Property Precium Conditio Source
Koc 1.0 pH 1;Temp: 25 °C (1) ACD
Koc 1.19 pH 2;Temp: 25 °C (1) ACD
Koc 3.42 pH 3;Temp: 25 °C (1) ACD
Koc 4.23 pH 4;Temp: 25 °C (1) ACD
Koc 4.33 pH 5;Temp: 25 °C (1) ACD
Koc 4.34 pH 6;Temp: 25 °C (1) ACD
Koc 4.33 pH 7;Temp: 25 °C (1) ACD
Koc 4.24 pH 8;Temp: 25 °C (1) ACD
Koc 3.48 pH 9;Temp: 25 °C (1) ACD
Koc 1.28 pH 10;Temp: 25 °C (1) ACD
logD -2.76 pH 1;Temp: 25 °C (1) ACD
logD -1.92 pH 2;Temp: 25 °C (1) ACD
logD -1.46 pH 3;Temp: 25 °C (1) ACD
logD -1.37 pH 4;Temp: 25 °C (1) ACD
logD -1.36 pH 5;Temp: 25 °C (1) ACD
logD -1.36 pH 6;Temp: 25 °C (1) ACD
logD -1.36 pH 7;Temp: 25 °C (1) ACD
logD -1.37 pH 8;Temp: 25 °C (1) ACD
logD -1.45 pH 9;Temp: 25 °C (1) ACD
logD -1.89 pH 10;Temp: 25 °C (1) ACD
logP -1.359±0.544 Temp: 25 °C (1) ACD
Missa Solubilitas intrinseca 1.1 g/L Temp: 25 °C (1) ACD
Missa Solubilitas 27 g/L pH 1;Temp: 25 °C (1) ACD
Missa Solubilitas 3.9 g/L pH 2;Temp: 25 °C (1) ACD
Missa Solubilitas 1.4 g/L pH 3;Temp: 25 °C (1) ACD
Missa Solubilitas 1.1 g/L pH 4;Temp: 25 °C (1) ACD

 

Property Precium Conditio Source
Missa Solubilitas 1.1 g/L pH 5;Temp: 25 °C (1) ACD
Missa Solubilitas 1.1 g/L pH 6;Temp: 25 °C (1) ACD
Missa Solubilitas 1.1 g/L pH 7;Temp: 25 °C (1) ACD
Missa Solubilitas 1.1 g/L pH 8;Temp: 25 °C (1) ACD
Missa Solubilitas 1.3 g/L pH 9;Temp: 25 °C (1) ACD
Missa Solubilitas 3.6 g/L pH 10;Temp: 25 °C (1) ACD
Missa Solubilitas 1.1 g/L Aquam impuberam pH 6.17;Temp: 25 °C (1) ACD
Molares Intrinsicas Solubility 3.6 x 10-3 mol/L Temp: 25 °C (1) ACD
Molares Solubility 0.093 mol/L pH 1;Temp: 25 °C (1) ACD
Molares Solubility 0.013 mol/L pH 2;Temp: 25 °C (1) ACD
Molares Solubility 4.6 x 10-3 mol/L pH 3;Temp: 25 °C (1) ACD
Molares Solubility 3.7 x 10-3 mol/L pH 4;Temp: 25 °C (1) ACD
Molares Solubility 3.7 x 10-3 mol/L pH 5;Temp: 25 °C (1) ACD
Molares Solubility 3.6 x 10-3 mol/L pH 6;Temp: 25 °C (1) ACD
Molares Solubility 3.7 x 10-3 mol/L pH 7;Temp: 25 °C (1) ACD
Molares Solubility 3.7 x 10-3 mol/L pH 8;Temp: 25 °C (1) ACD
Molares Solubility 4.5 x 10-3 mol/L pH 9;Temp: 25 °C (1) ACD
Molares Solubility 0.012 mol/L pH 10;Temp: 25 °C (1) ACD
Molares Solubility 3.6 x 10-3 mol/L Aquam impuberam pH 6.17;Temp: 25 °C (1) ACD
M. Pondus 297.27    
pKa 9.64±0.20 Most acidic Temp: 25 °C (1) ACD
pKa 2.42±0.10 Most Basic Temp: 25 °C (1) ACD

(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Density

Property Precium Conditio Source
Density 1.98±0.1 g/cm3 Temp: 20 °C;Press: 760 Torr (1) ACD
Molar Volume 149.8±7.0 cm3/mol Temp: 20 °C;Press: 760 Torr (1) ACD

(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Property Precium Conditio Source
Sponte rotatable vincula 5 (1) ACD

 

Property Precium Conditio Source
H. Acceptores 10   (1) ACD
H Donors 5   (1) ACD
H Donor/Acceptor Sum 15   (1) ACD
logP -1.359±0.544 Temp: 25 °C (1) ACD
M. Pondus 297.27    

(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

Property Precium Conditio Source
Superficies Polar Area 144 A2 (1) ACD

(1) Calculata per Progressionem Chemiae Provectus (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Praedicta Spectra

Spectra praesto
1 H NMR
13 C NMR


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