ChemSpider 2D Image | 1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]hexitol | C22H22O11

1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]hexitol

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID35014419

More details:

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

1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[2-(3,4-dihydroxyphényl)-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-8-yl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-8-yl]- [ACD/Index Name]
1,3-dihydro-1-hydroxy-2,1-benzoxaborole
1-Hydroxy-3(1H)-1,2-Benzoboroxole
1-Hydroxy-3H-2,1-benzoxaborole
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Isoswertiajaponin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 812.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 285.0±27.8 °C
Index of Refraction: 1.717
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 81.92
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.60
Polar Surface Area: 186 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 91.6±3.0 dyne/cm
Molar Volume: 280.3±3.0 cm3

Click to predict properties on the Chemicalize site


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