ChemSpider 2D Image | 3-(Methylsulfonyl)-D-alanine | C4H9NO4S

3-(Methylsulfonyl)-D-alanine

  • Molecular FormulaC4H9NO4S
  • Average mass167.184 Da
  • Monoisotopic mass167.025223 Da
  • ChemSpider ID57380686

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1065052-07-4 [RN]
3-(Methylsulfonyl)-D-alanin [German] [ACD/IUPAC Name]
3-(Methylsulfonyl)-D-alanine [ACD/IUPAC Name]
3-(Méthylsulfonyl)-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-(methylsulfonyl)- [ACD/Index Name]
(S)-2-Amino-3-(methylsulfonyl)propanoic acid
MFCD22392991

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

Density: 1.5±0.1 g/cm3
Boiling Point: 434.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±6.0 kJ/mol
Flash Point: 216.5±27.3 °C
Index of Refraction: 1.518
Molar Refractivity: 34.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -3.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 114.3±3.0 cm3

Click to predict properties on the Chemicalize site


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