ChemSpider 2D Image | Methyl 20-hydroxy-5,9-dimethyl-3-azahexacyclo[11.5.1.1~6,10~.0~1,9~.0~2,6~.0~16,19~]icosa-2,13(19)-diene-17-carboxylate | C23H31NO3

Methyl 20-hydroxy-5,9-dimethyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19)-diene-17-carboxylate

  • Molecular FormulaC23H31NO3
  • Average mass369.497 Da
  • Monoisotopic mass369.230408 Da
  • ChemSpider ID24627673
  • defined stereocentres - 8 of 8 defined stereocentres


More details:



Featured data source



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

20-Hydroxy-5,9-diméthyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19)-diène-17-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-3a,6-Methanocyclopent[1,8]azuleno[4,3a-g]indole-11-carboxylic acid, 2,3,5,5a,6,7,8,9,10,10a,11,12-dodecahydro-13-hydroxy-3,5a-dimethyl-, methyl ester [ACD/Index Name]
Methyl 20-hydroxy-5,9-dimethyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19)-diene-17-carboxylate [ACD/IUPAC Name]
Methyl-20-hydroxy-5,9-dimethyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19)-dien-17-carboxylat [German] [ACD/IUPAC Name]
calyciphylline N

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.6±6.0 kJ/mol
Flash Point: 261.2±30.1 °C
Index of Refraction: 1.733
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 38.39
ACD/KOC (pH 5.5): 159.53
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 870.81
ACD/KOC (pH 7.4): 3619.06
Polar Surface Area: 59 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 250.9±7.0 cm3

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