ChemSpider 2D Image | 3-[(Carboxymethyl)disulfanyl]alanine | C5H9NO4S2

3-[(Carboxymethyl)disulfanyl]alanine

  • Molecular FormulaC5H9NO4S2
  • Average mass211.259 Da
  • Monoisotopic mass210.997299 Da
  • ChemSpider ID28573452

More details:

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

3-[(Carboxymethyl)disulfanyl]alanin [German] [ACD/IUPAC Name]
3-[(Carboxymethyl)disulfanyl]alanine [ACD/IUPAC Name]
3-[(Carboxyméthyl)disulfanyl]alanine [French] [ACD/IUPAC Name]
Alanine, 3-[(carboxymethyl)dithio]- [ACD/Index Name]
18498-32-3 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 432.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 215.1±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 85.6±3.0 dyne/cm
Molar Volume: 132.3±3.0 cm3

Click to predict properties on the Chemicalize site


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