ChemSpider 2D Image | 5-Amino-1-[(5S)-5-C-phosphono-D-ribofuranosyl]-1H-imidazole-4-carboxylic acid | C9H14N3O9P

5-Amino-1-[(5S)-5-C-phosphono-D-ribofuranosyl]-1H-imidazole-4-carboxylic acid

  • Molecular FormulaC9H14N3O9P
  • Average mass339.196 Da
  • Monoisotopic mass339.046753 Da
  • ChemSpider ID57491582

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1H-Imidazole-4-carboxylic acid, 5-amino-1-[(5S)-5-C-phosphono-D-ribofuranosyl]- [ACD/Index Name]
5-Amino-1-[(5S)-5-C-phosphono-D-ribofuranosyl]-1H-imidazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Amino-1-[(5S)-5-C-phosphono-D-ribofuranosyl]-1H-imidazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-amino-1-[(5S)-5-C-phosphono-D-ribofuranosyl]-1H-imidazole-4-carboxylique [French] [ACD/IUPAC Name]
6001-14-5 [RN]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 939.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 522.2±37.1 °C
Index of Refraction: 1.874
Molar Refractivity: 62.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -6.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 159.0±7.0 dyne/cm
Molar Volume: 138.0±7.0 cm3

Click to predict properties on the Chemicalize site


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