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ChemSpider 2D Image | 2-[3,4-Dihydroxy(~2~H_3_)phenyl]-3,5,7-trihydroxy-4H-chromen-4-one | C15H7D3O7

2-[3,4-Dihydroxy(2H3)phenyl]-3,5,7-trihydroxy-4H-chromen-4-one

  • Molecular FormulaC15H7D3O7
  • Average mass305.254 Da
  • Monoisotopic mass305.061493 Da
  • ChemSpider ID10230430

  • Non-standard isotope - Non-standard isotope

More details:

Date of deprecation: 11:01, Feb 21, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

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

2-[3,4-Dihydroxy(2H3)phenyl]-3,5,7-trihydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[3,4-Dihydroxy(2H3)phenyl]-3,5,7-trihydroxy-4H-chromen-4-one [ACD/IUPAC Name]
2-[3,4-Dihydroxy(2H3)phényl]-3,5,7-trihydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(4,5-dihydroxyphenyl-2,3,6-d3)-3,5,7-trihydroxy- [ACD/Index Name]
263711-79-1 [RN]
3,5,7-trihydroxy-2-(2,3,6-trideuterio-4,5-dihydroxyphenyl)chromen-4-one
Quercetin-d3
Quercetin-d3 (Major)

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 642.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.3±3.0 kJ/mol
    Flash Point: 248.1±25.0 °C
    Index of Refraction: 1.823
    Molar Refractivity: 73.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 5
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 14.99
    ACD/KOC (pH 5.5): 230.01
    ACD/LogD (pH 7.4): 0.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.82
    Polar Surface Area: 127 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 114.9±3.0 dyne/cm
    Molar Volume: 168.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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