ChemSpider 2D Image | Methyl (16E)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.0~3,11~.0~5,10~]octadeca-3(11),5,7,9-tetraene-2-carboxylate | C21H26N2O3

Methyl (16E)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate

  • Molecular FormulaC21H26N2O3
  • Average mass354.443 Da
  • Monoisotopic mass354.194336 Da
  • ChemSpider ID74068079

  • Double-bond stereo - Double-bond stereo

More details:

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

(16E)-16-Éthylidène-2-(hydroxyméthyl)-4,14-diazatétracyclo[12.2.2.03,11.05,10]octadéca-3(11),5,7,9-tétraène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-3,6-Ethanoazonino[5,4-b]indole-7-carboxylic acid, 5-ethylidene-1,4,5,6,7,8-hexahydro-7-(hydroxymethyl)-, methyl ester, (5E)- [ACD/Index Name]
Methyl (16E)-16-ethylidene-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2-carboxylate [ACD/IUPAC Name]
Methyl-(16E)-16-ethyliden-2-(hydroxymethyl)-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraen-2-carboxylat [German] [ACD/IUPAC Name]
10012-73-4 [RN]
Stemmadenine

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

C11691 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.4±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.97
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 45.12
ACD/KOC (pH 7.4): 383.63
Polar Surface Area: 66 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 279.1±5.0 cm3

Click to predict properties on the Chemicalize site


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