ChemSpider 2D Image | xanthomegnin | C30H22O12

xanthomegnin

  • Molecular FormulaC30H22O12
  • Average mass574.489 Da
  • Monoisotopic mass574.111145 Da
  • ChemSpider ID2297394

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,3'R)-10,10'-Dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromen-1,1',6,6',9,9'-hexon [German] [ACD/IUPAC Name]
(3R,3'R)-10,10'-Dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-8,8'-bibenzo[g]isochromene-1,1',6,6',9,9'-hexone [ACD/IUPAC Name]
(3R,3'R)-10,10'-Dihydroxy-7,7'-diméthoxy-3,3'-diméthyl-3,3',4,4'-tétrahydro-1H,1'H-8,8'-bibenzo[g]isochromène-1,1',6,6',9,9'-hexone [French] [ACD/IUPAC Name]
[8,8'-Bi-1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone, 3,3',4,4'-tetrahydro-10,10'-dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-, (3R,3'R)- [ACD/Index Name]
1685-91-2 [RN]
xanthomegnin
(3R,3'R)-10,10'-dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-[8,8'-bibenzo[g]isochromene]-1,1',6,6',9,9'-hexaone
(8,8'-Bi-1H-naphtho(1,2-c)pyran)-1,1',7,7',10,10'-hexone, 3,3',4,4'-tetrahydro-6,6'-dihydroxy-9,9'-dimethoxy-3,3'-dimethyl-, (3R,3'R)- (8CI)
(8,8'-BI-1H-NAPHTHO(2,3-c)PYRAN)-1,1',6,6',9,9'-HEXONE, 3,3',4,4'-TETRAHYDRO-10,
(8,8'-Bi-1H-naphtho(2,3-c)pyran)-1,1',6,6',9,9'-hexone, 3,3',4,4'-tetrahydro-10,10'-dihydroxy-7,7'-dimethoxy-3,3'-dimethyl-, (R-(R*,R*))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 264720 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 943.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 142.0±3.0 kJ/mol
    Flash Point: 315.7±27.8 °C
    Index of Refraction: 1.705
    Molar Refractivity: 136.2±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 4.58
    ACD/BCF (pH 5.5): 1529.37
    ACD/KOC (pH 5.5): 5501.48
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 3.35
    ACD/KOC (pH 7.4): 12.03
    Polar Surface Area: 180 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 86.5±5.0 dyne/cm
    Molar Volume: 350.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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