ChemSpider 2D Image | (3R)-3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one | C16H14O6

(3R)-3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID24699751

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3R)-3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3R)-3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydro-3,7-dihydroxy-, (3R)- [ACD/Index Name]
(3R)-3-[(3,4-dihydroxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
104778-15-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477778/
sappanone B

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 638.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 243.3±25.0 °C
    Index of Refraction: 1.724
    Molar Refractivity: 76.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 9.42
    ACD/KOC (pH 5.5): 172.88
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 5.72
    ACD/KOC (pH 7.4): 105.01
    Polar Surface Area: 107 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 88.2±3.0 dyne/cm
    Molar Volume: 192.8±3.0 cm3

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