ChemSpider 2D Image | (1R,2S)-1-Acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,12-dione | C30H26O10

(1R,2S)-1-Acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,12-dione

  • Molecular FormulaC30H26O10
  • Average mass546.521 Da
  • Monoisotopic mass546.152588 Da
  • ChemSpider ID23180396

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(1R,2S)-1-Acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylen-5,12-dion [German] [ACD/IUPAC Name]
(1R,2S)-1-Acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,12-dione [ACD/IUPAC Name]
(1R,2S)-1-Acétyl-2,6,11-trihydroxy-4,8,9,13-tétraméthoxy-2-méthyl-2,3-dihydro-1H-cyclohepta[ghi]pérylène-5,12-dione [French] [ACD/IUPAC Name]
1H-Cyclohepta[ghi]perylene-5,12-dione, 1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1R,2S)- [ACD/Index Name]
123940-54-5 [RN]
1-acetyl-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3,5,12-tetrahydro-1H-cyclohepta[ghi]perylene-5,12-dione
77029-83-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL330348/
HYPOCRELLIN A
Hypocrellin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 922.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.6±3.0 kJ/mol
Flash Point: 309.3±27.8 °C
Index of Refraction: 1.733
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4409.74
ACD/KOC (pH 5.5): 13891.17
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 560.39
ACD/KOC (pH 7.4): 1765.29
Polar Surface Area: 149 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

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