ChemSpider 2D Image | 11,14,16-Trihydroxy-10,17-dimethyl-3,7-dioxapentacyclo[11.4.0.0~1,5~.0~5,9~.0~9,14~]heptadeca-10,16-diene-4,12,15-trione | C17H16O8

11,14,16-Trihydroxy-10,17-dimethyl-3,7-dioxapentacyclo[11.4.0.01,5.05,9.09,14]heptadeca-10,16-diene-4,12,15-trione

  • Molecular FormulaC17H16O8
  • Average mass348.304 Da
  • Monoisotopic mass348.084503 Da
  • ChemSpider ID28533898

More details:

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

11,14,16-Trihydroxy-10,17-dimethyl-3,7-dioxapentacyclo[11.4.0.01,5.05,9.09,14]heptadeca-10,16-dien-4,12,15-trion [German] [ACD/IUPAC Name]
11,14,16-Trihydroxy-10,17-dimethyl-3,7-dioxapentacyclo[11.4.0.01,5.05,9.09,14]heptadeca-10,16-diene-4,12,15-trione [ACD/IUPAC Name]
11,14,16-Trihydroxy-10,17-diméthyl-3,7-dioxapentacyclo[11.4.0.01,5.05,9.09,14]heptadéca-10,16-diène-4,12,15-trione [French] [ACD/IUPAC Name]
1H,6H-6a,7,10a-[1]Butene[1,4,4]triyl-3H,4H-cyclohepta[1,2-c:1,7-c']difuran-3,8,12(7H)-trione, 7,9,13-trihydroxy-10,14-dimethyl- [ACD/Index Name]
epicolactone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 298.3±26.4 °C
Index of Refraction: 1.715
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.13
ACD/KOC (pH 5.5): 127.17
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 3.68
ACD/KOC (pH 7.4): 76.35
Polar Surface Area: 130 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

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