ChemSpider 2D Image | (2R)-2-Amino-4-(butylsulfinyl)butanoic acid | C8H17NO3S

(2R)-2-Amino-4-(butylsulfinyl)butanoic acid

  • Molecular FormulaC8H17NO3S
  • Average mass207.290 Da
  • Monoisotopic mass207.092911 Da
  • ChemSpider ID28467654

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-Amino-4-(butylsulfinyl)butanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4-(butylsulfinyl)butansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-amino-4-(butylsulfinyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-(butylsulfinyl)-, (2R)- [ACD/Index Name]
199982-01-9 [RN]
98487-33-3 [RN]
D,L-Buthionine Sulfoxide
L-Buthionine Sulfoxide
L-ButhionineSulfoxide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 438.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 219.1±27.3 °C
Index of Refraction: 1.541
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 168.8±3.0 cm3

Click to predict properties on the Chemicalize site


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