ChemSpider 2D Image | (2S,2'S,3S,3'S)-5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-methoxy-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione | C31H24O10

(2S,2'S,3S,3'S)-5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-methoxy-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID9050640

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S,3S,3'S)-5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-methoxy-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'S,3S,3'S)-5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-methoxy-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'S,3S,3'S)-5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphényl)-7'-méthoxy-2,2',3,3'-tétrahydro-4H,4'H-3,3'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,3'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 5,5',7-trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-methoxy-, (2S,2'S,3S,3'S)- [ACD/Index Name]
(2S,3S)-5,7-dihydroxy-3-[(2S,3S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
402828-38-0 [RN]
7-Methoxyneochamaeiasmine A
7-Methoxyneochamaejasmine A

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 906.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.3±3.0 kJ/mol
    Flash Point: 302.8±27.8 °C
    Index of Refraction: 1.713
    Molar Refractivity: 143.3±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 4
    ACD/LogP: 6.79
    ACD/LogD (pH 5.5): 5.22
    ACD/BCF (pH 5.5): 5385.37
    ACD/KOC (pH 5.5): 16136.82
    ACD/LogD (pH 7.4): 4.43
    ACD/BCF (pH 7.4): 883.00
    ACD/KOC (pH 7.4): 2645.83
    Polar Surface Area: 163 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 76.2±3.0 dyne/cm
    Molar Volume: 365.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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