ChemSpider 2D Image | 1,3,4,6,8,15-Hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione | C30H18O8

1,3,4,6,8,15-Hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione

  • Molecular FormulaC30H18O8
  • Average mass506.459 Da
  • Monoisotopic mass506.100159 Da
  • ChemSpider ID4590166

More details:

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

1,3,4,6,8,15-Hexahydroxy-10,13-dimethyldibenzo[a,o]perylen-7,16-dion [German] [ACD/IUPAC Name]
1,3,4,6,8,15-Hexahydroxy-10,13-dimethyldibenzo[a,o]perylene-7,16-dione [ACD/IUPAC Name]
1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione
1,3,4,6,8,15-Hexahydroxy-10,13-diméthyldibenzo[a,o]pérylène-7,16-dione [French] [ACD/IUPAC Name]
548-03-8 [RN]
Dibenzo[a,o]perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,13-dimethyl- [ACD/Index Name]
54328-08-4 [RN]
7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1??,???.0??,?.0???,???.0????,???.0???,???]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
Protohypericin

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

AIDS214618 [DBID]
AIDS-214618 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 954.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 544.7±30.8 °C
Index of Refraction: 1.925
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 604555.19
ACD/KOC (pH 5.5): 434401.00
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 2099.65
ACD/KOC (pH 7.4): 1508.70
Polar Surface Area: 156 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 113.4±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

Click to predict properties on the Chemicalize site


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