ChemSpider 2D Image | 1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]hexitol | C21H22O11

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

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID23551230

More details:

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

1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-6-yl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-6-yl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-6-yl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 863.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 304.7±27.8 °C
Index of Refraction: 1.737
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 69.50
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.11
Polar Surface Area: 197 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 102.4±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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