ChemSpider 2D Image | 3-({2-[(N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]ethyl}disulfanyl)propanoic acid | C14H25N3O6S2

3-({2-[(N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]ethyl}disulfanyl)propanoic acid

  • Molecular FormulaC14H25N3O6S2
  • Average mass395.495 Da
  • Monoisotopic mass395.118469 Da
  • ChemSpider ID114908818

More details:

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

3-({2-[(N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]ethyl}disulfanyl)propanoic acid [ACD/IUPAC Name]
3-({2-[(N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]ethyl}disulfanyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-({2-[(N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}asparaginyl)amino]éthyl}disulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[2-[[4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dioxobutyl]amino]ethyl]dithio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 301.6±3.0 cm3

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