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ChemSpider 2D Image | S-[Carboxy(~2~H_1_)methyl]-L-cysteine | C5H8DNO4S

S-[Carboxy(2H1)methyl]-L-cysteine

  • Molecular FormulaC5H8DNO4S
  • Average mass180.200 Da
  • Monoisotopic mass180.031509 Da
  • ChemSpider ID66424715
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

L-Cysteine, S-(carboxymethyl-d)- [ACD/Index Name]
S-[Carboxy(2H1)methyl]-L-cystein [German] [ACD/IUPAC Name]
S-[Carboxy(2H1)methyl]-L-cysteine [ACD/IUPAC Name]
S-[Carboxy(2H1)méthyl]-L-cystéine [French] [ACD/IUPAC Name]
S-carboxymethyl-D-cysteine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 417.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 206.2±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 39.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 118.3±3.0 cm3

Click to predict properties on the Chemicalize site






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