ChemSpider 2D Image | 3-[1-(Phosphonomethyl)-1H-benzimidazol-2-yl]alanine | C11H14N3O5P

3-[1-(Phosphonomethyl)-1H-benzimidazol-2-yl]alanine

  • Molecular FormulaC11H14N3O5P
  • Average mass299.220 Da
  • Monoisotopic mass299.067108 Da
  • ChemSpider ID14468126

More details:

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

1H-Benzimidazole-2-propanoic acid, α-amino-1-(phosphonomethyl)- [ACD/Index Name]
3-[1-(Phosphonomethyl)-1H-benzimidazol-2-yl]alanin [German] [ACD/IUPAC Name]
3-[1-(Phosphonomethyl)-1H-benzimidazol-2-yl]alanine [ACD/IUPAC Name]
3-[1-(Phosphonométhyl)-1H-benzimidazol-2-yl]alanine [French] [ACD/IUPAC Name]
(-)-2-Amino-3-(1-phosphonomethyl-1H-benzoimidazol-2-yl)-propionic acid
(+)-2-Amino-3-(1-phosphonomethyl-1H-benzoimidazol-2-yl)-propionic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 663.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.2±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 68.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -4.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 91.2±7.0 dyne/cm
Molar Volume: 171.9±7.0 cm3

Click to predict properties on the Chemicalize site


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