ChemSpider 2D Image | 1,3,6-Trihydroxy-2,8-bis(3-methyl-2-buten-1-yl)-7-[(~2~H_3_)methyloxy]-9H-xanthen-9-one | C24H23D3O6

1,3,6-Trihydroxy-2,8-bis(3-methyl-2-buten-1-yl)-7-[(2H3)methyloxy]-9H-xanthen-9-one

  • Molecular FormulaC24H23D3O6
  • Average mass413.478 Da
  • Monoisotopic mass413.191772 Da
  • ChemSpider ID48060250

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3,6-Trihydroxy-2,8-bis(3-methyl-2-buten-1-yl)-7-[(2H3)methyloxy]-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,3,6-Trihydroxy-2,8-bis(3-methyl-2-buten-1-yl)-7-[(2H3)methyloxy]-9H-xanthen-9-one [ACD/IUPAC Name]
1,3,6-Trihydroxy-2,8-bis(3-méthyl-2-butén-1-yl)-7-[(2H3)méthyloxy]-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,3,6-trihydroxy-2,8-bis(3-methyl-2-buten-1-yl)-7-(methyl-d3-oxy)- [ACD/Index Name]
1,3,6-trihydroxy-2,8-bis(3-methylbut-2-enyl)-7-(trideuteriomethoxy)xanthen-9-one
1185047-73-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 640.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.9±3.0 kJ/mol
    Flash Point: 220.3±25.0 °C
    Index of Refraction: 1.624
    Molar Refractivity: 114.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.45
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 3984.89
    ACD/KOC (pH 5.5): 12971.98
    ACD/LogD (pH 7.4): 4.22
    ACD/BCF (pH 7.4): 600.51
    ACD/KOC (pH 7.4): 1954.83
    Polar Surface Area: 96 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 324.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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