ChemSpider 2D Image | 3-[(2-Benzyl-3-sulfanylpropanoyl)amino]-2-hydroxypropanoate | C13H16NO4S

3-[(2-Benzyl-3-sulfanylpropanoyl)amino]-2-hydroxypropanoate

  • Molecular FormulaC13H16NO4S
  • Average mass282.336 Da
  • Monoisotopic mass282.080566 Da
  • ChemSpider ID21202429

  • Charge - Charge

More details:

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

3-[(2-Benzyl-3-sulfanylpropanoyl)amino]-2-hydroxypropanoat [German] [ACD/IUPAC Name]
3-[(2-Benzyl-3-sulfanylpropanoyl)amino]-2-hydroxypropanoate [ACD/IUPAC Name]
3-[(2-Benzyl-3-sulfanylpropanoyl)amino]-2-hydroxypropanoate [French] [ACD/IUPAC Name]
Propanoic acid, 2-hydroxy-3-[[3-mercapto-1-oxo-2-(phenylmethyl)propyl]amino]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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