ChemSpider 2D Image | D-homocysteinesulfinic acid | C4H9NO4S

D-homocysteinesulfinic acid

  • Molecular FormulaC4H9NO4S
  • Average mass167.184 Da
  • Monoisotopic mass167.025223 Da
  • ChemSpider ID30689801

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-4-sulfinobutanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4-sulfinobutansäure [German] [ACD/IUPAC Name]
33514-39-5 [RN]
Acide (2R)-2-amino-4-sulfinobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-sulfino-, (2R)- [ACD/Index Name]
D-homocysteinesulfinic acid
D-homocysteine sulfinic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 486.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 248.1±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 113.4±3.0 dyne/cm
Molar Volume: 100.3±3.0 cm3

Click to predict properties on the Chemicalize site


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