ChemSpider 2D Image | 3-(1H-Benzimidazol-2-yl)-N-(2-methyl-3-furoyl)-D-alanine | C16H15N3O4

3-(1H-Benzimidazol-2-yl)-N-(2-methyl-3-furoyl)-D-alanine

  • Molecular FormulaC16H15N3O4
  • Average mass313.308 Da
  • Monoisotopic mass313.106262 Da
  • ChemSpider ID24648118
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Benzimidazole-2-propanoic acid, α-[[(2-methyl-3-furanyl)carbonyl]amino]-, (αR)- [ACD/Index Name]
3-(1H-Benzimidazol-2-yl)-N-(2-methyl-3-furoyl)-D-alanin [German] [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-(2-methyl-3-furoyl)-D-alanine [ACD/IUPAC Name]
3-(1H-Benzimidazol-2-yl)-N-(2-méthyl-3-furoyl)-D-alanine [French] [ACD/IUPAC Name]
3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine
4D7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 654.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

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