ChemSpider 2D Image | (5R,6S)-6,13-Diacetyl-4,5,10,12-tetrahydroxy-11-oxo-6,11-dihydro-5H-dibenzo[a,g]fluorene-5-carboxylic acid | C26H18O9

(5R,6S)-6,13-Diacetyl-4,5,10,12-tetrahydroxy-11-oxo-6,11-dihydro-5H-dibenzo[a,g]fluorene-5-carboxylic acid

  • Molecular FormulaC26H18O9
  • Average mass474.416 Da
  • Monoisotopic mass474.095093 Da
  • ChemSpider ID28286629

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5R,6S)-6,13-Diacetyl-4,5,10,12-tetrahydroxy-11-oxo-6,11-dihydro-5H-dibenzo[a,g]fluoren-5-carbonsäure [German] [ACD/IUPAC Name]
(5R,6S)-6,13-Diacetyl-4,5,10,12-tetrahydroxy-11-oxo-6,11-dihydro-5H-dibenzo[a,g]fluorene-5-carboxylic acid [ACD/IUPAC Name]
5H-Dibenzo[a,g]fluorene-5-carboxylic acid, 6,13-diacetyl-6,11-dihydro-4,5,10,12-tetrahydroxy-11-oxo-, (5R,6S)- [ACD/Index Name]
Acide (5R,6S)-6,13-diacétyl-4,5,10,12-tétrahydroxy-11-oxo-6,11-dihydro-5H-dibenzo[a,g]fluorène-5-carboxylique [French] [ACD/IUPAC Name]
erdacin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 935.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 533.1±30.8 °C
Index of Refraction: 1.795
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 107.8±5.0 dyne/cm
Molar Volume: 274.1±5.0 cm3

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