ChemSpider 2D Image | N-[(5-Amino-1-β-D-ribofuranosyl-1H-imidazol-4-yl)carbonyl]-L-aspartic acid | C13H18N4O9

N-[(5-Amino-1-β-D-ribofuranosyl-1H-imidazol-4-yl)carbonyl]-L-aspartic acid

  • Molecular FormulaC13H18N4O9
  • Average mass374.303 Da
  • Monoisotopic mass374.107391 Da
  • ChemSpider ID57562912

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

17388-80-6 [RN]
Acide N-{[5-amino-1-(β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(5-amino-1-β-D-ribofuranosyl-1H-imidazol-4-yl)carbonyl]- [ACD/Index Name]
N-[(5-Amino-1-β-D-ribofuranosyl-1H-imidazol-4-yl)carbonyl]-L-aspartic acid
N-{[5-Amino-1-(β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-asparaginsäure [German] [ACD/IUPAC Name]
N-{[5-Amino-1-(β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid [ACD/IUPAC Name]
MFCD31563062
N-(5-Amino-1-β-D-ribofuranosyl-1H-imidazole-4-carbonyl)-L-aspartic acid

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

Density: 2.0±0.1 g/cm3
Boiling Point: 877.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.770
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -6.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 101.4±7.0 dyne/cm
Molar Volume: 186.6±7.0 cm3

Click to predict properties on the Chemicalize site


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