ChemSpider 2D Image | 6-Acetyl-8,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-1H-cyclohepta[ghi]perylene-1,2(4H)-dione | C30H24O9

6-Acetyl-8,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-1H-cyclohepta[ghi]perylene-1,2(4H)-dione

  • Molecular FormulaC30H24O9
  • Average mass528.506 Da
  • Monoisotopic mass528.142029 Da
  • ChemSpider ID4589285

More details:

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

1H-Cyclohepta[ghi]perylene-1,2(4H)-dione, 6-acetyl-8,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl- [ACD/Index Name]
6-Acetyl-8,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-1H-cyclohepta[ghi]perylen-1,2(4H)-dion [German] [ACD/IUPAC Name]
6-Acetyl-8,9-dihydroxy-3,7,11,12-tetramethoxy-5-methyl-1H-cyclohepta[ghi]perylene-1,2(4H)-dione [ACD/IUPAC Name]
6-Acétyl-8,9-dihydroxy-3,7,11,12-tétraméthoxy-5-méthyl-1H-cyclohepta[ghi]pérylène-1,2(4H)-dione [French] [ACD/IUPAC Name]
1,1-Thiocarbonyldi-2(1h)-pyridone
123940-54-5 [RN]
Hypocrellin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 947.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 319.4±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 21.52
ACD/KOC (pH 5.5): 138.11
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.12
Polar Surface Area: 129 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 346.0±5.0 cm3

Click to predict properties on the Chemicalize site


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