ChemSpider 2D Image | 8,13,15,16-Tetrahydroxy-3-methoxy-3-methyl-1,14-dioxo-1,3,4,6,7,14-hexahydropyrano[4',3':6,7]naphtho[1,2-b]xanthene-12-carboxylic acid | C27H20O11

8,13,15,16-Tetrahydroxy-3-methoxy-3-methyl-1,14-dioxo-1,3,4,6,7,14-hexahydropyrano[4',3':6,7]naphtho[1,2-b]xanthene-12-carboxylic acid

  • Molecular FormulaC27H20O11
  • Average mass520.441 Da
  • Monoisotopic mass520.100586 Da
  • ChemSpider ID29215278

More details:

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

8,13,15,16-Tetrahydroxy-3-methoxy-3-methyl-1,14-dioxo-1,3,4,6,7,14-hexahydropyrano[4',3':6,7]naphtho[1,2-b]xanthen-12-carbonsäure [German] [ACD/IUPAC Name]
8,13,15,16-Tetrahydroxy-3-methoxy-3-methyl-1,14-dioxo-1,3,4,6,7,14-hexahydropyrano[4',3':6,7]naphtho[1,2-b]xanthene-12-carboxylic acid [ACD/IUPAC Name]
Acide 8,13,15,16-tétrahydroxy-3-méthoxy-3-méthyl-1,14-dioxo-1,3,4,6,7,14-hexahydropyrano[4',3':6,7]naphto[1,2-b]xanthène-12-carboxylique [French] [ACD/IUPAC Name]
Pyrano[4',3':6,7]naphtho[1,2-b]xanthene-12-carboxylic acid, 1,3,4,6,7,14-hexahydro-8,13,15,16-tetrahydroxy-3-methoxy-3-methyl-1,14-dioxo- [ACD/Index Name]
1548899-50-8 [RN]
citreaglycon A

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

Density: 1.8±0.1 g/cm3
Boiling Point: 898.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 308.2±27.8 °C
Index of Refraction: 1.809
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 180 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 120.5±5.0 dyne/cm
Molar Volume: 289.7±5.0 cm3

Click to predict properties on the Chemicalize site


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