ChemSpider 2D Image | 4-Acetamidophenyl methyl 2,3,4-tri-O-acetyl-beta-D-erythro-hexopyranosiduronate | C21H25NO11

4-Acetamidophenyl methyl 2,3,4-tri-O-acetyl-β-D-erythro-hexopyranosiduronate

  • Molecular FormulaC21H25NO11
  • Average mass467.423 Da
  • Monoisotopic mass467.142761 Da
  • ChemSpider ID71116826

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4-Acetamidophenyl methyl 2,3,4-tri-O-acetyl-β-D-erythro-hexopyranosiduronate [ACD/IUPAC Name]
4-Acetamidophenyl-methyl-2,3,4-tri-O-acetyl-β-D-erythro-hexopyranosiduronat [German] [ACD/IUPAC Name]
Acetamide, N-[4-[(2,3,4-tri-O-acetyl-6-methyl-β-D-erythro-hexopyranuronosyl)oxy]phenyl]- [ACD/Index Name]
30824-21-6 [RN]
4-Acetamidophenyl-2,3,4-tri-O-acetyl-b-D-glucuronide methyl ester
4-Acetamidophenyl-triacetyl-b-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


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