ChemSpider 2D Image | 4-Acetyl-3-hydroxy-5-[(3,4,6-tri-O-acetyl-D-allopyranosyl)oxy]phenyl benzoate | C27H28O13

4-Acetyl-3-hydroxy-5-[(3,4,6-tri-O-acetyl-D-allopyranosyl)oxy]phenyl benzoate

  • Molecular FormulaC27H28O13
  • Average mass560.503 Da
  • Monoisotopic mass560.153015 Da
  • ChemSpider ID22904015

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

4-Acetyl-3-hydroxy-5-[(3,4,6-tri-O-acetyl-D-allopyranosyl)oxy]phenyl benzoate [ACD/IUPAC Name]
4-Acetyl-3-hydroxy-5-[(3,4,6-tri-O-acetyl-D-allopyranosyl)oxy]phenyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-acétyl-3-hydroxy-5-[(3,4,6-tri-O-acétyl-D-allopyranosyl)oxy]phényle [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(benzoyloxy)-2-hydroxy-6-[(3,4,6-tri-O-acetyl-D-allopyranosyl)oxy]phenyl]- [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: 711.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.82
ACD/KOC (pH 5.5): 2280.09
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 331.54
ACD/KOC (pH 7.4): 2192.25
Polar Surface Area: 181 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 391.9±5.0 cm3

Click to predict properties on the Chemicalize site


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