ChemSpider 2D Image | S-Nitroso-L-homocysteine | C4H8N2O3S

S-Nitroso-L-homocysteine

  • Molecular FormulaC4H8N2O3S
  • Average mass164.183 Da
  • Monoisotopic mass164.025558 Da
  • ChemSpider ID23327703

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

139427-42-2 [RN]
L-Homocysteine, S-nitroso- [ACD/Index Name]
S-Nitroso-L-homocystein [German] [ACD/IUPAC Name]
S-Nitroso-L-homocysteine [ACD/IUPAC Name]
S-Nitroso-L-homocystéine [French] [ACD/IUPAC Name]
(2S)-2-amino-4-nitrososulfanylbutanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469866/
L-Homocysteine, nitrite (ester) (9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 331.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 154.5±30.7 °C
Index of Refraction: 1.611
Molar Refractivity: 36.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.72
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): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 104.6±7.0 cm3

Click to predict properties on the Chemicalize site


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