ChemSpider 2D Image | N-{[5-Amino-1-(5-O-phosphono-beta-L-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}aspartic acid | C13H19N4O12P

N-{[5-Amino-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}aspartic acid

  • Molecular FormulaC13H19N4O12P
  • Average mass454.283 Da
  • Monoisotopic mass454.073700 Da
  • ChemSpider ID68026235

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Acide N-{[5-amino-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[[5-amino-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]- [ACD/Index Name]
N-{[5-Amino-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}asparaginsäure [German] [ACD/IUPAC Name]
N-{[5-Amino-1-(5-O-phosphono-β-L-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}aspartic acid [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.783
Molar Refractivity: 87.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -8.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 274 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 124.7±7.0 dyne/cm
Molar Volume: 207.9±7.0 cm3

Click to predict properties on the Chemicalize site


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