ChemSpider 2D Image | Ribavirin Carboxylic Acid | C8H11N3O6

Ribavirin Carboxylic Acid

  • Molecular FormulaC8H11N3O6
  • Average mass245.189 Da
  • Monoisotopic mass245.064789 Da
  • ChemSpider ID20038397

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(β-D-Ribofuranosyl)-1H-1,2,4-triazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(β-D-Ribofuranosyl)-1H-1,2,4-triazole-3-carboxylic acid [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxylic acid, 1-β-D-ribofuranosyl- [ACD/Index Name]
1-β-d-Ribofuranosyl-1,2,4-triazole-3-carboxylic acid
39925-19-4 [RN]
Acide 1-(β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxylique [French] [ACD/IUPAC Name]
Ribavirin Carboxylic Acid
1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,2,4-triazole-3-carboxylic acid
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

13QM2X38XN [DBID]
UNII:13QM2X38XN [DBID]
UNII-13QM2X38XN [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1-ribosyltriazole that is ribavirin in which the carbamoyl group at position 3 is replaced by a carboxy group. It is a catabolite and impurity of ribavirin. ChEBI CHEBI:180483

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 669.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.795
Molar Refractivity: 50.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 103.3±7.0 dyne/cm
Molar Volume: 117.6±7.0 cm3

Click to predict properties on the Chemicalize site


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