ChemSpider 2D Image | (2S,3S)-2-Ammonio-3-methylsuccinate | C5H8NO4

(2S,3S)-2-Ammonio-3-methylsuccinate

  • Molecular FormulaC5H8NO4
  • Average mass146.122 Da
  • Monoisotopic mass146.045883 Da
  • ChemSpider ID26331324

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Ammonio-3-methylsuccinat [German] [ACD/IUPAC Name]
(2S,3S)-2-Ammonio-3-methylsuccinate [ACD/IUPAC Name]
(2S,3S)-2-Ammonio-3-méthylsuccinate [French] [ACD/IUPAC Name]
L-Aspartic acid, 3-methyl-, inner salt, ion(1-), (3S)- [ACD/Index Name]
(2S,3S)-2-azaniumyl-3-methylbutanedioate
(2S,3S)-3-methyl-L-aspartate
threo-3-methyl-L-aspartate
threo-3-methyl-L-aspartate(1-)

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

Density:
Boiling Point: 259.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.7±6.0 kJ/mol
Flash Point: 110.6±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -4.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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