ChemSpider 2D Image | 5,12-Dihydroxy-4,8,9,13-tetramethoxy-2-methyl-6,11-dioxo-6,11-dihydro-1H-cyclohepta[ghi]perylen-3-yl acetate | C30H24O10

5,12-Dihydroxy-4,8,9,13-tetramethoxy-2-methyl-6,11-dioxo-6,11-dihydro-1H-cyclohepta[ghi]perylen-3-yl acetate

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID325559

More details:

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

1H-Cyclohepta[ghi]perylene-6,11-dione, 3-(acetyloxy)-5,12-dihydroxy-4,8,9,13-tetramethoxy-2-methyl- [ACD/Index Name]
5,12-Dihydroxy-4,8,9,13-tetramethoxy-2-methyl-6,11-dioxo-6,11-dihydro-1H-cyclohepta[ghi]perylen-3-yl acetate [ACD/IUPAC Name]
5,12-Dihydroxy-4,8,9,13-tetramethoxy-2-methyl-6,11-dioxo-6,11-dihydro-1H-cyclohepta[ghi]perylen-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 5,12-dihydroxy-4,8,9,13-tétraméthoxy-2-méthyl-6,11-dioxo-6,11-dihydro-1H-cyclohepta[ghi]pérylén-3-yle [French] [ACD/IUPAC Name]
6,11-Dihydroxy-4,8,9,13-tetramethoxy-2-methyl-5,12-dioxo-5,12-dihydro-1H-cyclohepta[ghi]perylen-3-yl acetate [ACD/IUPAC Name]
Hypocrellin B

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

AIDS135572 [DBID]
AIDS-135572 [DBID]
NSC635471 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 915.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 307.8±27.8 °C
Index of Refraction: 1.733
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13346.13
ACD/KOC (pH 5.5): 30958.60
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 3474.50
ACD/KOC (pH 7.4): 8059.70
Polar Surface Area: 138 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 351.4±5.0 cm3

Click to predict properties on the Chemicalize site


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