ChemSpider 2D Image | [(2S)-2-Amino-3-oxopropyl]malonic acid | C6H9NO5

[(2S)-2-Amino-3-oxopropyl]malonic acid

  • Molecular FormulaC6H9NO5
  • Average mass175.139 Da
  • Monoisotopic mass175.048065 Da
  • ChemSpider ID26326318

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-Amino-3-oxopropyl]malonic acid [ACD/IUPAC Name]
[(2S)-2-Amino-3-oxopropyl]malonsäure [German] [ACD/IUPAC Name]
Acide [(2S)-2-amino-3-oxopropyl]malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(2S)-2-amino-3-oxopropyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 431.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 215.0±28.7 °C
Index of Refraction: 1.530
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 118.6±3.0 cm3

Click to predict properties on the Chemicalize site


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