ChemSpider 2D Image | Methyl (1R,9R,13E,15R)-13-ethylidene-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.1~10,14~.0~1,9~.0~2,7~]nonadeca-2,4,6-triene-15-carboxylate | C21H24N2O4

Methyl (1R,9R,13E,15R)-13-ethylidene-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate

  • Molecular FormulaC21H24N2O4
  • Average mass368.426 Da
  • Monoisotopic mass368.173615 Da
  • ChemSpider ID32033887

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

Featured data source
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(1R,9R,13E,15R)-13-Éthylidène-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadéca-2,4,6-triène-15-carboxylate de méthyle [French] [ACD/IUPAC Name]
11a,6a-(Epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylic acid, 4-ethylidene-2-formyl-1,2,3,4,5,6-hexahydro-, methyl ester, (4E,6R,6aR,11aR)- [ACD/Index Name]
Methyl (1R,9R,13E,15R)-13-ethylidene-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate [ACD/IUPAC Name]
Methyl-(1R,9R,13E,15R)-13-ethyliden-11-formyl-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-trien-15-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.2±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.18
ACD/KOC (pH 5.5): 614.25
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.20
ACD/KOC (pH 7.4): 614.43
Polar Surface Area: 68 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

Click to predict properties on the Chemicalize site


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