ChemSpider 2D Image | HYPOCRELLIN A | C30H26O10

HYPOCRELLIN A

  • Molecular FormulaC30H26O10
  • Average mass546.521 Da
  • Monoisotopic mass546.152588 Da
  • ChemSpider ID19979664
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2S)-1-Acetyl-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylen-5,11-dion [German] [ACD/IUPAC Name]
(1R,2S)-1-Acetyl-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-2,3-dihydro-1H-cyclohepta[ghi]perylene-5,11-dione [ACD/IUPAC Name]
(1R,2S)-1-Acétyl-2,6,12-trihydroxy-4,8,9,13-tétraméthoxy-2-méthyl-2,3-dihydro-1H-cyclohepta[ghi]pérylène-5,11-dione [French] [ACD/IUPAC Name]
1H-Cyclohepta(ghi)perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1R,2S)-rel-
1H-Cyclohepta[ghi]perylene-5,11-dione, 1-acetyl-2,3-dihydro-2,6,12-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-, (1R,2S)- [ACD/Index Name]
77029-83-5 [RN]
HYPOCRELLIN A
(11R,12S)-11-acetyl-3,9,12-trihydroxy-1,5,6,10-tetramethoxy-12-methyl-12,13-dihydro-2H-cyclohepta[ghi]perylene-2,8(11H)-dione
4547-72-2 [RN]
hypocrellin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII-V86371B0XS [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 894.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 299.9±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1103.35
ACD/KOC (pH 5.5): 5208.10
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 355.20
ACD/KOC (pH 7.4): 1676.62
Polar Surface Area: 149 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 351.0±5.0 cm3

Click to predict properties on the Chemicalize site






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