ChemSpider 2D Image | (2R,3R)-2,3-Bis(benzoyloxy)-4-oxo-4-[(3,4,5-trimethoxyphenyl)amino]butanoic acid | C27H25NO10

(2R,3R)-2,3-Bis(benzoyloxy)-4-oxo-4-[(3,4,5-trimethoxyphenyl)amino]butanoic acid

  • Molecular FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID120954565

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Bis(benzoyloxy)-4-oxo-4-[(3,4,5-trimethoxyphenyl)amino]butanoic acid [ACD/IUPAC Name]
(2R,3R)-2,3-Bis(benzoyloxy)-4-oxo-4-[(3,4,5-trimethoxyphenyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-2,3-bis(benzoyloxy)-4-oxo-4-[(3,4,5-triméthoxyphényl)amino]butanoïque [French] [ACD/IUPAC Name]
Benzoic acid, (1R,2R)-1-carboxy-2-[[(3,4,5-trimethoxyphenyl)amino]carbonyl]-1,2-ethanediyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 782.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.98
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 147 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 387.5±3.0 cm3

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