ChemSpider 2D Image | 3-[(2-Carboxy-2-hydroxyethyl)disulfanyl]alanine | C6H11NO5S2

3-[(2-Carboxy-2-hydroxyethyl)disulfanyl]alanine

  • Molecular FormulaC6H11NO5S2
  • Average mass241.285 Da
  • Monoisotopic mass241.007858 Da
  • ChemSpider ID26516309

More details:

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

3-[(2-Carboxy-2-hydroxyethyl)disulfanyl]alanin [German] [ACD/IUPAC Name]
3-[(2-Carboxy-2-hydroxyethyl)disulfanyl]alanine [ACD/IUPAC Name]
3-[(2-Carboxy-2-hydroxyéthyl)disulfanyl]alanine [French] [ACD/IUPAC Name]
Alanine, 3-[(2-carboxy-2-hydroxyethyl)dithio]- [ACD/Index Name]
18841-42-4 [RN]
2-AMINO-3-[(2-CARBOXY-2-HYDROXYETHYL)DISULFANYL]PROPANOIC ACID
3-((2-carboxy-2-hydroxyethyl)dithio)- L-Alanine
3172-49-4 [RN]
L-Alanine,3-[(2-carboxy-2-hydroxyethyl)dithio]- (9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 503.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 258.5±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 93.6±3.0 dyne/cm
Molar Volume: 146.7±3.0 cm3

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