ChemSpider 2D Image | 3-[(S)-Methylsulfinyl]-D-alanine | C4H9NO3S

3-[(S)-Methylsulfinyl]-D-alanine

  • Molecular FormulaC4H9NO3S
  • Average mass151.184 Da
  • Monoisotopic mass151.030319 Da
  • ChemSpider ID88298086

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(S)-Methylsulfinyl]-D-alanin [German] [ACD/IUPAC Name]
3-[(S)-Methylsulfinyl]-D-alanine [ACD/IUPAC Name]
3-[(S)-Méthylsulfinyl]-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-[(S)-(1S)-methylsulfinyl]- [ACD/Index Name]
6853-87-8 [RN]
NSC-226572

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

Density: 1.5±0.1 g/cm3
Boiling Point: 428.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 212.8±27.3 °C
Index of Refraction: 1.586
Molar Refractivity: 34.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 83.3±3.0 dyne/cm
Molar Volume: 102.7±3.0 cm3

Click to predict properties on the Chemicalize site


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