ChemSpider 2D Image | 1,5-Anhydro-1-[5,7-dihydroxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]hexitol | C21H20O12

1,5-Anhydro-1-[5,7-dihydroxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]hexitol

  • Molecular FormulaC21H20O12
  • Average mass464.376 Da
  • Monoisotopic mass464.095490 Da
  • ChemSpider ID35014039

More details:

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

1,5-Anhydro-1-[5,7-dihydroxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[5,7-dihydroxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-chromen-6-yl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[5,7-dihydroxy-4-oxo-2-(2,4,5-trihydroxyphényl)-4H-chromén-6-yl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-[5,7-dihydroxy-4-oxo-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-6-yl]- [ACD/Index Name]
2'-Hydroxyisoorientin
5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one
5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 910.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.7±3.0 kJ/mol
Flash Point: 320.5±27.8 °C
Index of Refraction: 1.792
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.52
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 120.7±3.0 dyne/cm
Molar Volume: 253.2±3.0 cm3

Click to predict properties on the Chemicalize site


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