ChemSpider 2D Image | 4-Acetyl-1,5,9-trihydroxy-3,7,11,12-tetramethoxy-5-methyl-5,8a-dihydro-2H-cyclohepta[ghi]perylene-2,8(4H)-dione | C30H26O10

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

  • Molecular FormulaC30H26O10
  • Average mass546.521 Da
  • Monoisotopic mass546.152588 Da
  • ChemSpider ID4677835

More details:

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

2H-Cyclohepta[ghi]perylene-2,8(4H)-dione, 4-acetyl-5,8a-dihydro-1,5,9-trihydroxy-3,7,11,12-tetramethoxy-5-methyl- [ACD/Index Name]
4-Acetyl-1,5,9-trihydroxy-3,7,11,12-tetramethoxy-5-methyl-5,8a-dihydro-2H-cyclohepta[ghi]perylen-2,8(4H)-dion [German] [ACD/IUPAC Name]
4-Acetyl-1,5,9-trihydroxy-3,7,11,12-tetramethoxy-5-methyl-5,8a-dihydro-2H-cyclohepta[ghi]perylene-2,8(4H)-dione [ACD/IUPAC Name]
4-Acétyl-1,5,9-trihydroxy-3,7,11,12-tétraméthoxy-5-méthyl-5,8a-dihydro-2H-cyclohepta[ghi]pérylène-2,8(4H)-dione [French] [ACD/IUPAC Name]
124709-39-3 [RN]
1H-Cyclohepta(ghi)perylene-5,12-dione, 1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, stereoisomer
Shiraiachrome A
Shiraiachrome B
Shiraiachrome-A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 996.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.2±3.0 kJ/mol
Flash Point: 333.6±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.27
ACD/KOC (pH 5.5): 424.52
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 10.66
ACD/KOC (pH 7.4): 136.02
Polar Surface Area: 149 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 351.5±5.0 cm3

Click to predict properties on the Chemicalize site


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