ChemSpider 2D Image | 5,7-Diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-2,3-dihydroxy-9-oxo-9H-xanthene-1-carboxylic acid | C28H16O14

5,7-Diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-2,3-dihydroxy-9-oxo-9H-xanthene-1-carboxylic acid

  • Molecular FormulaC28H16O14
  • Average mass576.418 Da
  • Monoisotopic mass576.054016 Da
  • ChemSpider ID4589348

More details:

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

5,7-Diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-2,3-dihydroxy-9-oxo-9H-xanthen-1-carbonsäure [German] [ACD/IUPAC Name]
5,7-Diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-chromen-3-yl)-2,3-dihydroxy-9-oxo-9H-xanthene-1-carboxylic acid [ACD/IUPAC Name]
9H-Xanthene-1-carboxylic acid, 5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2,3-dihydroxy-9-oxo- [ACD/Index Name]
Acide 5,7-diacétyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-chromén-3-yl)-2,3-dihydroxy-9-oxo-9H-xanthène-1-carboxylique [French] [ACD/IUPAC Name]
133293-89-7 [RN]
411F
9H-Xanthene-1-carboxylicacid,5,7-diacetyl-6-(5-carboxy-6,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2,3-dihydroxy-9-oxo-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510257/
Vinaxanthone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1064.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.4±3.0 kJ/mol
Flash Point: 357.6±27.8 °C
Index of Refraction: 1.768
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 100.2±3.0 dyne/cm
Molar Volume: 325.3±3.0 cm3

Click to predict properties on the Chemicalize site


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