ChemSpider 2D Image | 2-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}succinic acid | C7H11NO6S

2-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}succinic acid

  • Molecular FormulaC7H11NO6S
  • Average mass237.230 Da
  • Monoisotopic mass237.030701 Da
  • ChemSpider ID56061319

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}bernsteinsäure [German] [ACD/IUPAC Name]
2-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}succinic acid [ACD/IUPAC Name]
Acide 2-{[(2R)-2-amino-2-carboxyéthyl]sulfanyl}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[[(2R)-2-amino-2-carboxyethyl]thio]- [ACD/Index Name]
[[(2R)-2-Amino-2-carboxyethyl]thio]succinic acid
2-[[(2R)-2-Amino-2-carboxyethyl]thio]butanedioic acid
2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
2-SC
34317-60-7 [RN]
547764-73-8 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a 1,2-dicarboxyethyl group. It is a chemical modification which occurs in tissue proteins and f ormed by a Michael addition of cysteine to fumaric acid. ChEBI CHEBI:144907

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

Density: 1.6±0.1 g/cm3
Boiling Point: 458.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 230.8±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 146.4±3.0 cm3

Click to predict properties on the Chemicalize site


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