ChemSpider 2D Image | Hypocrellin B | C30H24O9

Hypocrellin B

  • Molecular FormulaC30H24O9
  • Average mass528.506 Da
  • Monoisotopic mass528.142029 Da
  • ChemSpider ID20129625

More details:

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

123940-54-5 [RN]
1H-Cyclohepta(ghi)perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
1H-Cyclohepta[ghi]perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl- [ACD/Index Name]
3-Acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylen-5,12-dion [German] [ACD/IUPAC Name]
3-Acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-1H-cyclohepta[ghi]perylene-5,12-dione [ACD/IUPAC Name]
3-Acétyl-6,11-dihydroxy-4,8,9,13-tétraméthoxy-2-méthyl-1H-cyclohepta[ghi]pérylène-5,12-dione [French] [ACD/IUPAC Name]
Hypocrellin B
13-acetyl-3,8-dihydroxy-1,5,6,10-tetramethoxy-12-methyl-2H-cyclohepta[ghi]perylene-2,9(11H)-dione
149457-83-0 [RN]
AC1LKRH1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 893.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 134.3±3.0 kJ/mol
    Flash Point: 301.4±27.8 °C
    Index of Refraction: 1.733
    Molar Refractivity: 138.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.57
    ACD/LogD (pH 5.5): 5.78
    ACD/BCF (pH 5.5): 13988.05
    ACD/KOC (pH 5.5): 31084.93
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 653.86
    ACD/KOC (pH 7.4): 1453.04
    Polar Surface Area: 129 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 76.9±5.0 dyne/cm
    Molar Volume: 346.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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