ChemSpider 2D Image | 5-Amino-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate | C9H12N3O9P

5-Amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate

  • Molecular FormulaC9H12N3O9P
  • Average mass337.181 Da
  • Monoisotopic mass337.032227 Da
  • ChemSpider ID31150352

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Imidazole-4-carboxylic acid, 5-amino-1-(5-O-phosphono-β-D-ribofuranosyl)-, inner salt, ion(2-) [ACD/Index Name]
5-Amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylat [German] [ACD/IUPAC Name]
5-Amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate [ACD/IUPAC Name]
5-Amino-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-3-ium-4-carboxylate [French] [ACD/IUPAC Name]
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
5-amino-1-(5-phosphonato-D-ribosyl)imidazolium-4-carboxylate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the major structure at pH 7.3 of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid. ChEBI CHEBI:77657

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

Density:
Boiling Point: 865.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 477.5±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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