ChemSpider 2D Image | 13,15,16-Trihydroxy-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 | C27H20O10

13,15,16-Trihydroxy-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 FormulaC27H20O10
  • Average mass504.442 Da
  • Monoisotopic mass504.105652 Da
  • ChemSpider ID29215279

More details:

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

13,15,16-Trihydroxy-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]
13,15,16-Trihydroxy-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 13,15,16-trihydroxy-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-13,15,16-trihydroxy-3-methoxy-3-methyl-1,14-dioxo- [ACD/Index Name]
1548899-51-9 [RN]
dehydrocitreaglycon A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 881.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 303.7±27.8 °C
Index of Refraction: 1.784
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 6.08
ACD/KOC (pH 5.5): 15.81
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 160 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 108.1±5.0 dyne/cm
Molar Volume: 292.9±5.0 cm3

Click to predict properties on the Chemicalize site


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