ChemSpider 2D Image | dehydroxymethylaspartic acid | C5H9NO3

dehydroxymethylaspartic acid

  • Molecular FormulaC5H9NO3
  • Average mass131.130 Da
  • Monoisotopic mass131.058243 Da
  • ChemSpider ID24192323

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-4-oxopentansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-4-oxopentanoïque [French] [ACD/IUPAC Name]
dehydroxymethylaspartic acid
Pentanoic acid, 3-amino-4-oxo-, (3S)- [ACD/Index Name]
86938-57-0 [RN]
Pentanoic acid, 3-amino-4-oxo-, (S)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 276.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.7±6.0 kJ/mol
Flash Point: 121.3±24.6 °C
Index of Refraction: 1.479
Molar Refractivity: 30.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 106.9±3.0 cm3

Click to predict properties on the Chemicalize site


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