ChemSpider 2D Image | 2-Amino-4-{[2-amino-2-carboxy(1,1-~2~H_2_)ethyl]disulfanyl}(4,4-~2~H_2_)butanoic acid | C7H10D4N2O4S2

2-Amino-4-{[2-amino-2-carboxy(1,1-2H2)ethyl]disulfanyl}(4,4-2H2)butanoic acid

  • Molecular FormulaC7H10D4N2O4S2
  • Average mass258.352 Da
  • Monoisotopic mass258.064606 Da
  • ChemSpider ID107435345

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-4-{[2-amino-2-carboxy(1,1-2H2)ethyl]disulfanyl}(4,4-2H2)butanoic acid [ACD/IUPAC Name]
2-Amino-4-{[2-amino-2-carboxy(1,1-2H2)ethyl]disulfanyl}(4,4-2H2)butansäure [German] [ACD/IUPAC Name]
Acide 2-amino-4-{[2-amino-2-carboxy(1,1-2H2)éthyl]disulfanyl}(4,4-2H2)butanoïque [French] [ACD/IUPAC Name]
Butanoic-4,4-d2 acid, 2-amino-4-[(2-amino-2-carboxyethyl-1,1-d2)dithio]- [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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