ChemSpider 2D Image | 3-({1-[(Carboxymethyl)amino]-1-oxo-2-propanyl}disulfanyl)alanine | C8H14N2O5S2

3-({1-[(Carboxymethyl)amino]-1-oxo-2-propanyl}disulfanyl)alanine

  • Molecular FormulaC8H14N2O5S2
  • Average mass282.337 Da
  • Monoisotopic mass282.034424 Da
  • ChemSpider ID64883266

More details:

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

3-({1-[(Carboxymethyl)amino]-1-oxo-2-propanyl}disulfanyl)alanin [German] [ACD/IUPAC Name]
3-({1-[(Carboxymethyl)amino]-1-oxo-2-propanyl}disulfanyl)alanine [ACD/IUPAC Name]
3-({1-[(Carboxyméthyl)amino]-1-oxo-2-propanyl}disulfanyl)alanine [French] [ACD/IUPAC Name]
Alanine, 3-[[2-[(carboxymethyl)amino]-1-methyl-2-oxoethyl]dithio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 310.1±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 188.1±3.0 cm3

Click to predict properties on the Chemicalize site


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