ChemSpider 2D Image | 5-Hydroxy-6,8-dimethyl-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-threo-hexopyranoside | C29H32O13

5-Hydroxy-6,8-dimethyl-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC29H32O13
  • Average mass588.557 Da
  • Monoisotopic mass588.184265 Da
  • ChemSpider ID24843220

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

5-Hydroxy-6,8-dimethyl-4-oxo-2-phenyl-4H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-6,8-dimethyl-4-oxo-2-phenyl-4H-chromen-7-yl-6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-(4-Carboxy-3-hydroxy-3-méthylbutanoyl)-β-D-thréo-hexopyranoside de 5-hydroxy-6,8-diméthyl-4-oxo-2-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, 5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 906.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.1±3.0 kJ/mol
Flash Point: 297.6±27.8 °C
Index of Refraction: 1.642
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.15
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

Click to predict properties on the Chemicalize site


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