ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-isobutyryl-beta-D-glucopyranoside | C26H28O14

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-isobutyryl-β-D-glucopyranoside

  • Molecular FormulaC26H28O14
  • Average mass564.492 Da
  • Monoisotopic mass564.147888 Da
  • ChemSpider ID8252132

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-isobutyryl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl-6-O-isobutyryl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
6-O-Isobutyryl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-3,5-dihydroxy-6-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL474462/
Patuletin 7-(6''-isobutyrylglucoside)
Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 841.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 281.3±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 60.80
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 222 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 353.0±3.0 cm3

Click to predict properties on the Chemicalize site


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