ChemSpider 2D Image | 1,5-Anhydro-6-O-(carboxyacetyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-ribo-hexitol | C24H22O14

1,5-Anhydro-6-O-(carboxyacetyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-ribo-hexitol

  • Molecular FormulaC24H22O14
  • Average mass534.423 Da
  • Monoisotopic mass534.100952 Da
  • ChemSpider ID28283744

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1,5-Anhydro-6-O-(2-carboxyacétyl)-1-[2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-6-yl]-D-ribo-hexitol [French] [ACD/IUPAC Name]
1,5-Anhydro-6-O-(carboxyacetyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-ribo-hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-6-O-(carboxyacetyl)-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-ribo-hexitol [ACD/IUPAC Name]
D-ribo-Hexitol, 1,5-anhydro-1-C-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-, 6-(2-carboxyacetate) [ACD/Index Name]
6"-O-(malonyl)isoorientin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 942.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 321.8±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 104.5±3.0 dyne/cm
Molar Volume: 304.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement