ChemSpider 2D Image | N-Carboxylato-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-5-amine | C9H11N3O9P

N-Carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amine

  • Molecular FormulaC9H11N3O9P
  • Average mass336.174 Da
  • Monoisotopic mass336.024933 Da
  • ChemSpider ID26331330

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Imidazol-5-amine, N-carboxy-1-(5-O-phosphono-β-D-ribofuranosyl)-, ion(3-) [ACD/Index Name]
N-Carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amin [German] [ACD/IUPAC Name]
N-Carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amine [ACD/IUPAC Name]
N-Carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amine [French] [ACD/IUPAC Name]
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-)

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

11853632 [DBID]
  • Miscellaneous

    • Chemical Class:

      Trianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions. ChEBI CHEBI:58730

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -5.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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