ChemSpider 2D Image | 2-Oxo-6-phenyl-2H-pyran-4-yl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside | C24H22O12

2-Oxo-6-phenyl-2H-pyran-4-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID58992347

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-phenyl-4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
2-Oxo-6-phenyl-2H-pyran-4-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-Oxo-6-phenyl-2H-pyran-4-yl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-glucopyranoside de 2-oxo-6-phényl-2H-pyran-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 908.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 312.8±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.59
ACD/KOC (pH 5.5): 103.39
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 71.14
Polar Surface Area: 192 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 298.0±5.0 cm3

Click to predict properties on the Chemicalize site


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