ChemSpider 2D Image | (2R,3R)-2,3-Bis(benzoyloxy)-4-[(2,6-dioxo-3-piperidinyl)amino]-4-oxobutanoic acid | C23H20N2O9

(2R,3R)-2,3-Bis(benzoyloxy)-4-[(2,6-dioxo-3-piperidinyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC23H20N2O9
  • Average mass468.413 Da
  • Monoisotopic mass468.116882 Da
  • ChemSpider ID120953366

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,3R)-2,3-Bis(benzoyloxy)-4-[(2,6-dioxo-3-piperidinyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
(2R,3R)-2,3-Bis(benzoyloxy)-4-[(2,6-dioxo-3-piperidinyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R,3R)-2,3-bis(benzoyloxy)-4-[(2,6-dioxo-3-pipéridinyl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzoic acid, (1R,2R)-1-carboxy-2-[[(2,6-dioxo-3-piperidinyl)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: 1.5±0.1 g/cm3
Boiling Point: 830.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 455.9±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 318.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement