ChemSpider 2D Image | N-acetylmethionine sulfone | C7H13NO5S

N-acetylmethionine sulfone

  • Molecular FormulaC7H13NO5S
  • Average mass223.247 Da
  • Monoisotopic mass223.051437 Da
  • ChemSpider ID32325742

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Acetamido-4-(methylsulfonyl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Acetamido-4-(methylsulfonyl)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-acétamido-4-(méthylsulfonyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(acetylamino)-4-(methylsulfonyl)-, (2S)- [ACD/Index Name]
N-acetylmethionine sulfone
(2S)-2-acetamido-4-(methanesulfonyl)butanoic acid
N-acetyl-L-methionine sulfone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 316.8±30.1 °C
Index of Refraction: 1.498
Molar Refractivity: 48.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 166.1±3.0 cm3

Click to predict properties on the Chemicalize site


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