ChemSpider 2D Image | cepharatine A | C18H19NO4

cepharatine A

  • Molecular FormulaC18H19NO4
  • Average mass313.348 Da
  • Monoisotopic mass313.131409 Da
  • ChemSpider ID26233553
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(±)-cepharatine A
3,13-Dihydroxy-4-methoxy-14-methyl-14-azatetracyclo[11.3.1.01,10.02,7]heptadeca-2,4,6,8,10-pentaen-12-on [German] [ACD/IUPAC Name]
3,13-Dihydroxy-4-methoxy-14-methyl-14-azatetracyclo[11.3.1.01,10.02,7]heptadeca-2,4,6,8,10-pentaen-12-one [ACD/IUPAC Name]
3,13-Dihydroxy-4-méthoxy-14-méthyl-14-azatétracyclo[11.3.1.01,10.02,7]heptadéca-2,4,6,8,10-pentaén-12-one [French] [ACD/IUPAC Name]
5H-4,12b-Methanonaphth[1,2-d]azocin-5-one, 1,2,3,4-tetrahydro-4,12-dihydroxy-11-methoxy-3-methyl- [ACD/Index Name]
cepharatine A
Cepharatine A, (rel)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.5±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 99.78
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 125.80
Polar Surface Area: 70 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 220.7±5.0 cm3

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