ChemSpider 2D Image | epicoccolide A | C18H14O9

epicoccolide A

  • Molecular FormulaC18H14O9
  • Average mass374.298 Da
  • Monoisotopic mass374.063782 Da
  • ChemSpider ID31128269

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,9R)-5,6,12,13,14-Pentahydroxy-4,11-dimethyl-16-oxo-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-3-carbaldehyd [German] [ACD/IUPAC Name]
(1S,9R)-5,6,12,13,14-Pentahydroxy-4,11-dimethyl-16-oxo-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-3-carbaldehyde [ACD/IUPAC Name]
(1S,9R)-5,6,12,13,14-Pentahydroxy-4,11-diméthyl-16-oxo-8,17-dioxatétracyclo[7.7.1.02,7.010,15]heptadéca-2,4,6,10,12,14-hexaène-3-carbaldéhyde [French] [ACD/IUPAC Name]
6,12-Epoxy-6H-dibenz[b,f]oxocin-1-carboxaldehyde, 11,12-dihydro-3,4,8,9,10-pentahydroxy-2,7-dimethyl-11-oxo-, (6R,12S)- [ACD/Index Name]
epicoccolide A
Epicocconigrone 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: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 262.6±26.4 °C
Index of Refraction: 1.779
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 53.06
ACD/KOC (pH 5.5): 567.75
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 11.68
Polar Surface Area: 154 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 97.7±3.0 dyne/cm
Molar Volume: 215.3±3.0 cm3

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