ChemSpider 2D Image | 2-oxohistidine | C6H7N3O3

2-oxohistidine

  • Molecular FormulaC6H7N3O3
  • Average mass169.138 Da
  • Monoisotopic mass169.048737 Da
  • ChemSpider ID24774784

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

151436-49-6 [RN]
2H-Imidazole-4-propanoic acid, α-amino-2-oxo-, (αS)- [ACD/Index Name]
2-oxohistidine
2-oxo-histidine
3-(2-Oxo-2H-imidazol-4-yl)-L-alanin [German] [ACD/IUPAC Name]
3-(2-Oxo-2H-imidazol-4-yl)-L-alanine [ACD/IUPAC Name]
3-(2-Oxo-2H-imidazol-4-yl)-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-AMINO-3-(2-OXOIMIDAZOL-4-YL)PROPANOIC ACID
265997-48-6 [RN]
2-oxo histidine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 366.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.3±6.0 kJ/mol
Flash Point: 175.6±30.7 °C
Index of Refraction: 1.702
Molar Refractivity: 38.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 79.9±7.0 dyne/cm
Molar Volume: 98.6±7.0 cm3

Click to predict properties on the Chemicalize site


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