ChemSpider 2D Image | 6,11-Dihydroxy-8,9-bis[(2S)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione | C29H26O10


  • Molecular FormulaC29H26O10
  • Average mass534.511 Da
  • Monoisotopic mass534.152588 Da
  • ChemSpider ID320379
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6,11-Dihydroxy-8,9-bis[(2S)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepin-5,12-dion [German] [ACD/IUPAC Name]
6,11-Dihydroxy-8,9-bis[(2S)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione [ACD/IUPAC Name]
6,11-Dihydroxy-8,9-bis[(2S)-2-hydroxypropyl]-7,10-diméthoxypérylo[1,12-def][1,3]dioxépine-5,12-dione [French] [ACD/IUPAC Name]
Peryleno[1,12-def]-1,3-dioxepin-5,12-dione, 6,11-dihydroxy-8,9-bis[(2S)-2-hydroxypropyl]-7,10-dimethoxy- [ACD/Index Name]

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

C10309 [DBID]
NSC153111 [DBID]
NSC623610 [DBID]
  • Miscellaneous
    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB3826
      Enzymes/Kinase/PKC Hello Bio HB3826
      Phytotoxin. Potent and specific PKC inhibitor. Competes for the phorbol binding site. Anticancer compound. Cytotoxic. Antiproliferative. Antiparasitic. Antimicrobial. Hello Bio HB3826
      Potent and specific PKC inhibitor Hello Bio HB3826

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

Density: 1.6±0.1 g/cm3
Boiling Point: 886.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 299.0±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.74
ACD/KOC (pH 5.5): 1287.53
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 86.71
ACD/KOC (pH 7.4): 716.81
Polar Surface Area: 152 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 90.2±5.0 dyne/cm
Molar Volume: 335.3±5.0 cm3

Click to predict properties on the Chemicalize site