ChemSpider 2D Image | N-Acetyl-S-glyceroyl-L-cysteine | C8H13NO6S

N-Acetyl-S-glyceroyl-L-cysteine

  • Molecular FormulaC8H13NO6S
  • Average mass251.257 Da
  • Monoisotopic mass251.046356 Da
  • ChemSpider ID58170146

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

91918-35-3 [RN]
L-Cysteine, N-acetyl-, 2,3-dihydroxypropanoate (ester)
L-Cysteine, N-acetyl-S-(2,3-dihydroxy-1-oxopropyl)- [ACD/Index Name]
N-Acetyl-S-glyceroyl-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-glyceroyl-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-glyceroyl-L-cystéine [French] [ACD/IUPAC Name]
N-acetyl-S-(2,3-dihydroxypropanoyl)-L-cysteine
N-Acetyl-S-glyceroylcysteine [ACD/IUPAC Name]
NASGC
  • Miscellaneous

    • Chemical Class:

      An <element>S</element>-substituted <element>N</element>-acetyl-<stereo>L</stereo>-cysteine that is the thioester obtained by formal condensation of the carboxy group of glyceric acid with the thiol g roup of <element>N</element>-acetyl-<stereo>L</stereo>-cysteine. ChEBI CHEBI:131338
      An S-substituted N-acetyl-L-cysteine that is the thioester obtained by formal condensation of the carboxy group of glyceric acid with the thiol g; roup of N-acetyl-L-cysteine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131338
      An S-substituted N-acetyl-L-cysteine that is the thioester obtained by formal condensation of the carboxy group of glyceric acid with the thiol group of N-acetyl-L-cysteine. ChEBI CHEBI:131338

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

Density: 1.5±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 168.0±3.0 cm3

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