ChemSpider 2D Image | (2S)-2-Amino-4-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}butanoic acid | C7H14N2O4S2

(2S)-2-Amino-4-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}butanoic acid

  • Molecular FormulaC7H14N2O4S2
  • Average mass254.327 Da
  • Monoisotopic mass254.039490 Da
  • ChemSpider ID75218054

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-4-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyéthyl]disulfanyl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[(2R)-2-amino-2-carboxyethyl]dithio]-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -3.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

Click to predict properties on the Chemicalize site


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