ChemSpider 2D Image | (2S,3R)-4-Anilino-2,3-dihydroxy-4-oxobutanoic acid | C10H11NO5

(2S,3R)-4-Anilino-2,3-dihydroxy-4-oxobutanoic acid

  • Molecular FormulaC10H11NO5
  • Average mass225.198 Da
  • Monoisotopic mass225.063721 Da
  • ChemSpider ID78520327

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-4-Anilino-2,3-dihydroxy-4-oxobutanoic acid [ACD/IUPAC Name]
(2S,3R)-4-Anilino-2,3-dihydroxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-4-anilino-2,3-dihydroxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-4-oxo-4-(phenylamino)-, (2S,3R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 311.8±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 145.9±3.0 cm3

Click to predict properties on the Chemicalize site


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