ChemSpider 2D Image | (2S,5R)-methionine sulfoximine | C5H12N2O3S

(2S,5R)-methionine sulfoximine

  • Molecular FormulaC5H12N2O3S
  • Average mass180.225 Da
  • Monoisotopic mass180.056870 Da
  • ChemSpider ID21427523

More details:

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

(2S)-2-Amino-4-(S-methylsulfonimidoyl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(S-methylsulfonimidoyl)butansäure [German] [ACD/IUPAC Name]
(2S)-2-Amino-4-[[S(R)]-S-methylsulfonimidoyl]butanoic acid
(2S,5R)-methionine sulfoximine
Acide (2S)-2-amino-4-(S-méthylsulfonimidoyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)- [ACD/Index Name]
(2S,5R)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid
(2S,5S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid
(2S,5S)-methionine sulfoximine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 352.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 166.8±30.7 °C
Index of Refraction: 1.560
Molar Refractivity: 39.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 113 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 123.2±7.0 cm3

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