ChemSpider 2D Image | N-({5-Amino-1-[(3xi)-beta-D-threo-pentofuranosyl]-1H-imidazol-4-yl}carbonyl)aspartic acid | C13H18N4O9

N-({5-Amino-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-4-yl}carbonyl)aspartic acid

  • Molecular FormulaC13H18N4O9
  • Average mass374.303 Da
  • Monoisotopic mass374.107391 Da
  • ChemSpider ID71116724

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

Acide N-({5-amino-1-[(3ξ)-β-D-thréo-pentofuranosyl]-1H-imidazol-4-yl}carbonyl)aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[[5-amino-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-4-yl]carbonyl]- [ACD/Index Name]
N-({5-Amino-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-4-yl}carbonyl)asparaginsäure [German] [ACD/IUPAC Name]
N-({5-Amino-1-[(3ξ)-β-D-threo-pentofuranosyl]-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: 2.0±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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