ChemSpider 2D Image | neo-Chamaejasmin A | C30H22O10

neo-Chamaejasmin A

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID4478229

  • 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-2,2'-bis(4-hydroxyphenyl)-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-2,2'-bis(4-hydroxyphenyl)-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-2,2'-bis(4-hydroxyphényl)-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-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S,3S,3'S)- [ACD/Index Name]
neo-Chamaejasmin A
(2S,3S)-3-[(2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
90411-13-5 [RN]
neochamaejasmin
Neochamaejasmin A
Neochamaejasmine A

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 932.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 140.3±3.0 kJ/mol
    Flash Point: 314.2±27.8 °C
    Index of Refraction: 1.750
    Molar Refractivity: 138.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 4
    ACD/LogP: 6.61
    ACD/LogD (pH 5.5): 5.03
    ACD/BCF (pH 5.5): 3876.22
    ACD/KOC (pH 5.5): 12728.67
    ACD/LogD (pH 7.4): 4.14
    ACD/BCF (pH 7.4): 499.52
    ACD/KOC (pH 7.4): 1640.30
    Polar Surface Area: 174 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 86.4±3.0 dyne/cm
    Molar Volume: 340.2±3.0 cm3

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