ChemSpider 2D Image | N-Acetyl-3-[(2-carboxyethyl)sulfinyl]alanine | C8H13NO6S

N-Acetyl-3-[(2-carboxyethyl)sulfinyl]alanine

  • Molecular FormulaC8H13NO6S
  • Average mass251.257 Da
  • Monoisotopic mass251.046356 Da
  • ChemSpider ID26503567

More details:

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

Alanine, N-acetyl-3-[(2-carboxyethyl)sulfinyl]- [ACD/Index Name]
N-Acetyl-3-[(2-carboxyethyl)sulfinyl]alanin [German] [ACD/IUPAC Name]
N-Acetyl-3-[(2-carboxyethyl)sulfinyl]alanine [ACD/IUPAC Name]
N-Acétyl-3-[(2-carboxyéthyl)sulfinyl]alanine [French] [ACD/IUPAC Name]
3-(2-CARBOXYETHANESULFINYL)-2-ACETAMIDOPROPANOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 709.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 382.7±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.97
ACD/LogD (pH 5.5): -5.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 165.7±3.0 cm3

Click to predict properties on the Chemicalize site


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