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ChemSpider 2D Image | 1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]hexitol | C21H24O11

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

  • Molecular FormulaC21H24O11
  • Average mass452.409 Da
  • Monoisotopic mass452.131866 Da
  • ChemSpider ID35014410

More details:

Date of deprecation: 15:45, Feb 12, 2016
Reason for deprecation: Deprecate record: no defined stereochemistry

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-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-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]- [ACD/Index Name]
(+)-Catechin 6-C-glucoside
2-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
6-C-Glucopyranosylcatechin
6-Glucopyranosyl-(+)-catechin
6-Glucosyl-(+)-catechin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 867.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.4±34.3 °C
Index of Refraction: 1.749
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.25
Polar Surface Area: 201 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 97.9±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

Click to predict properties on the Chemicalize site


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