ChemSpider 2D Image | S-Ethyl-N-formyl-D-homocysteine | C7H13NO3S

S-Ethyl-N-formyl-D-homocysteine

  • Molecular FormulaC7H13NO3S
  • Average mass191.248 Da
  • Monoisotopic mass191.061615 Da
  • ChemSpider ID33288376

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Homocysteine, S-ethyl-N-formyl- [ACD/Index Name]
S-Ethyl-N-formyl-D-homocystein [German] [ACD/IUPAC Name]
S-Ethyl-N-formyl-D-homocysteine [ACD/IUPAC Name]
S-Éthyl-N-formyl-D-homocystéine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 227.2±27.3 °C
Index of Refraction: 1.512
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 159.2±3.0 cm3

Click to predict properties on the Chemicalize site


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