ChemSpider 2D Image | Sikokianin A | C31H24O10

Sikokianin A

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID10270317

  • 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',7,7'-Tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-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',7,7'-Tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-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',7,7'-Tétrahydroxy-2-(4-hydroxyphényl)-2'-(4-méthoxyphényl)-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',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-, (2S,2'S,3S,3'S)- [ACD/Index Name]
Sikokianin A
(2S,3S)-3-[(2S,3S)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
106293-99-6 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 901.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.5±3.0 kJ/mol
    Flash Point: 300.9±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: 7.26
    ACD/LogD (pH 5.5): 5.53
    ACD/BCF (pH 5.5): 9222.08
    ACD/KOC (pH 5.5): 23666.92
    ACD/LogD (pH 7.4): 4.63
    ACD/BCF (pH 7.4): 1169.50
    ACD/KOC (pH 7.4): 3001.32
    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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