ChemSpider 2D Image | MFCD00133794 | C30H16O9

MFCD00133794

  • Molecular FormulaC30H16O9
  • Average mass520.443 Da
  • Monoisotopic mass520.079407 Da
  • ChemSpider ID4445065

More details:

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

1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10-(hydroxyméthyl)-11-méthylphénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
55954-61-5 [RN]
MFCD00133794
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methyl- [ACD/Index Name]
Pseudohypericin
[55954-61-5] [RN]
1558680-19-5 [RN]
611-335-2 [EINECS]
More...

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

MQ0U4663ZO [DBID]
AIDS000118 [DBID]
AIDS-000118 [DBID]
C10392 [DBID]
NSC624609 [DBID]
UNII:MQ0U4663ZO [DBID]
UNII-MQ0U4663ZO [DBID]

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 994.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 152.0±3.0 kJ/mol
    Flash Point: 569.2±30.8 °C
    Index of Refraction: 2.169
    Molar Refractivity: 144.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 7
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 3
    ACD/LogP: 6.75
    ACD/LogD (pH 5.5): 6.52
    ACD/BCF (pH 5.5): 52750.56
    ACD/KOC (pH 5.5): 82287.20
    ACD/LogD (pH 7.4): 5.70
    ACD/BCF (pH 7.4): 7967.79
    ACD/KOC (pH 7.4): 12429.19
    Polar Surface Area: 176 Å2
    Polarizability: 57.2±0.5 10-24cm3
    Surface Tension: 167.8±3.0 dyne/cm
    Molar Volume: 260.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement