ChemSpider 2D Image | 5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-threo-hexopyranoside | C24H22O13

5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID24844032

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl-6-O-(carboxyacetyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-thréo-hexopyranoside de 5,6-dihydroxy-4-oxo-2-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 6-(2-carboxyacetate) [ACD/Index 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: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 300.4±27.8 °C
Index of Refraction: 1.687
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 89.9±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

Click to predict properties on the Chemicalize site


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