ChemSpider 2D Image | 6a-Acetoacetyl-14-acetyl-2,3,10,11-tetrahydroxy-8-oxo-6a,8-dihydro-6H,7H-chromeno[3,4-b]xanthene-9-carboxylic acid | C27H20O12

6a-Acetoacetyl-14-acetyl-2,3,10,11-tetrahydroxy-8-oxo-6a,8-dihydro-6H,7H-chromeno[3,4-b]xanthene-9-carboxylic acid

  • Molecular FormulaC27H20O12
  • Average mass536.440 Da
  • Monoisotopic mass536.095459 Da
  • ChemSpider ID8304236

More details:

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

6a-Acetoacetyl-14-acetyl-2,3,10,11-tetrahydroxy-8-oxo-6a,8-dihydro-6H,7H-chromeno[3,4-b]xanthen-9-carbonsäure [German] [ACD/IUPAC Name]
6a-Acetoacetyl-14-acetyl-2,3,10,11-tetrahydroxy-8-oxo-6a,8-dihydro-6H,7H-chromeno[3,4-b]xanthene-9-carboxylic acid [ACD/IUPAC Name]
6H,7H-[1]Benzopyrano[3,4-b]xanthene-9-carboxylic acid, 14-acetyl-6a-(1,3-dioxobutyl)-6a,8-dihydro-2,3,10,11-tetrahydroxy-8-oxo- [ACD/Index Name]
Acide 6a-acetoacetyl-14-acétyl-2,3,10,11-tétrahydroxy-8-oxo-6a,8-dihydro-6H,7H-chroméno[3,4-b]xanthène-9-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 898.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 305.7±27.8 °C
Index of Refraction: 1.763
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 205 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 110.8±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

Click to predict properties on the Chemicalize site


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