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ChemSpider 2D Image | (3,3,4,4-~2~H_4_)Homocysteine | C4H5D4NO2S


  • Molecular FormulaC4H5D4NO2S
  • Average mass139.209 Da
  • Monoisotopic mass139.060501 Da
  • ChemSpider ID24533094
  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,4,4-2H4)Homocystein [German] [ACD/IUPAC Name]
(3,3,4,4-2H4)Homocysteine [ACD/IUPAC Name]
(3,3,4,4-2H4)Homocystéine [French] [ACD/IUPAC Name]
Homocysteine-3,3,4,4-d4 [ACD/Index Name]
416845-90-4 [RN]
DL-2-Amino-4-mercaptobutyric acid, H-DL-Homocys-OH

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

Density: 1.3±0.1 g/cm3
Boiling Point: 299.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.4±6.0 kJ/mol
Flash Point: 135.0±25.9 °C
Index of Refraction: 1.538
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 107.3±3.0 cm3

Click to predict properties on the Chemicalize site