ChemSpider 2D Image | Methyl (1S,9S,14E,15R,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.0~1,9~.0~3,8~.0~9,16~.0~12,19~]icosa-3,5,7-triene-16-carboxylate | C22H26N2O3

Methyl (1S,9S,14E,15R,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate

  • Molecular FormulaC22H26N2O3
  • Average mass366.453 Da
  • Monoisotopic mass366.194336 Da
  • ChemSpider ID34967027

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,9S,14E,15R,19S)-14-Éthylidène-2-méthyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triène-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H,9H-6,3,8a-Ethanylylideneazocino[4',5':3,4]furo[2,3-b]indole-6a(7H)-carboxylic acid, 5-ethylidene-1,2,5,6-tetrahydro-9-methyl-, methyl ester, (5E,6R,8aS,13bS,14S)- [ACD/Index Name]
Methyl (1S,9S,14E,15R,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate [ACD/IUPAC Name]
Methyl-(1S,9S,14E,15R,19S)-14-ethyliden-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-trien-16-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: 498.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 10.43
ACD/KOC (pH 5.5): 86.42
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 132.54
ACD/KOC (pH 7.4): 1097.99
Polar Surface Area: 42 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

Click to predict properties on the Chemicalize site


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