ChemSpider 2D Image | (2R,3R)-2,3-Dihydroxy-4-[(2-methoxyphenyl)amino]-4-oxobutanoic acid | C11H13NO6

(2R,3R)-2,3-Dihydroxy-4-[(2-methoxyphenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC11H13NO6
  • Average mass255.224 Da
  • Monoisotopic mass255.074280 Da
  • ChemSpider ID34496397

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Dihydroxy-4-[(2-methoxyphenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-2,3-Dihydroxy-4-[(2-methoxyphenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-2,3-dihydroxy-4-[(2-méthoxyphényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-4-[(2-methoxyphenyl)amino]-4-oxo-, (2R,3R)- [ACD/Index Name]
(2R,3R)-2,3-dihydroxy-3-[(2-methoxyphenyl)carbamoyl]propanoic acid
(2R,3R)-2,3-Dihydroxy-3-[(2-methoxyphenyl)-carbamoyl]propanoic acid
157376-32-4 [RN]
MFCD28369727
SS-4890

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

Density: 1.5±0.1 g/cm3
Boiling Point: 565.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.8±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 169.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement