ChemSpider 2D Image | 4-Acetamidophenyl methyl (5xi)-2,3,4-tri-O-acetyl-beta-D-lyxo-hexopyranosiduronate | C21H25NO11

4-Acetamidophenyl methyl (5ξ)-2,3,4-tri-O-acetyl-β-D-lyxo-hexopyranosiduronate

  • Molecular FormulaC21H25NO11
  • Average mass467.423 Da
  • Monoisotopic mass467.142761 Da
  • ChemSpider ID23977328

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-Acetamidophenyl methyl (5ξ)-2,3,4-tri-O-acetyl-β-D-lyxo-hexopyranosiduronate [ACD/IUPAC Name]
4-Acetamidophenyl-methyl-(5ξ)-2,3,4-tri-O-acetyl-β-D-lyxo-hexopyranosiduronat [German] [ACD/IUPAC Name]
Acetamide, N-[4-[[(5ξ)-2,3,4-tri-O-acetyl-6-methyl-β-D-lyxo-hexopyranuronosyl]oxy]phenyl]- [ACD/Index Name]
30824-21-6 [RN]
4-Acetamidophenyl-triacetyl-β-D-glucuronic Acid, Methyl Ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.16
ACD/KOC (pH 5.5): 156.42
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.16
ACD/KOC (pH 7.4): 156.43
Polar Surface Area: 153 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 347.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement