ChemSpider 2D Image | Mulberrofuran C | C34H28O9

Mulberrofuran C

  • Molecular FormulaC34H28O9
  • Average mass580.581 Da
  • Monoisotopic mass580.173340 Da
  • ChemSpider ID138307

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanon [German] [ACD/IUPAC Name]
[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone [ACD/IUPAC Name]
[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phényl]-6-(2,4-dihydroxyphényl)-4-méthyl-3-cyclohexén-1-yl](2,4-dihydroxyphényl)méthanone [French] [ACD/IUPAC Name]
[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl](2,4-dihydroxyphenyl)methanone
[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone
77996-04-4 [RN]
Methanone, ((1S,2R,6R)-2-(2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl)-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl)(2,4-dihydroxyphenyl)-
Methanone, [(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)- [ACD/Index Name]
Mulberrofuran C
[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
More...

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

C08928 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 801.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.6±3.0 kJ/mol
    Flash Point: 438.6±34.3 °C
    Index of Refraction: 1.736
    Molar Refractivity: 158.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 5.75
    ACD/LogD (pH 5.5): 5.53
    ACD/BCF (pH 5.5): 9285.88
    ACD/KOC (pH 5.5): 24005.12
    ACD/LogD (pH 7.4): 5.23
    ACD/BCF (pH 7.4): 4681.22
    ACD/KOC (pH 7.4): 12101.51
    Polar Surface Area: 172 Å2
    Polarizability: 62.8±0.5 10-24cm3
    Surface Tension: 75.9±3.0 dyne/cm
    Molar Volume: 394.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement