ChemSpider 2D Image | (2R)-2-Ammonio-3-(methylsulfanyl)succinate | C5H8NO4S

(2R)-2-Ammonio-3-(methylsulfanyl)succinate

  • Molecular FormulaC5H8NO4S
  • Average mass178.187 Da
  • Monoisotopic mass178.017944 Da
  • ChemSpider ID28639383

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-Ammonio-3-(methylsulfanyl)succinat [German] [ACD/IUPAC Name]
(2R)-2-Ammonio-3-(methylsulfanyl)succinate [ACD/IUPAC Name]
(2R)-2-Ammonio-3-(méthylsulfanyl)succinate [French] [ACD/IUPAC Name]
L-Aspartic acid, 3-(methylthio)-, inner salt, ion(1-) [ACD/Index Name]
(2R)-2-azaniumyl-3-(methylsulfanyl)succinate
3-(methylsulfanyl)aspartate(1-)
3-(methylsulfanyl)-L-aspartate
3-(methylthio)-L-aspartate
3-methylthioaspartate(1-)
  • Miscellaneous

    • Chemical Class:

      An alpha-amino-acid anion obtained by deprotonation of the two carboxy groups and protonation of the amino group of 3-methylthioaspartic acid. ChEBI CHEBI:73620

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

Density:
Boiling Point: 294.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.8±6.0 kJ/mol
Flash Point: 132.1±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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