ChemSpider 2D Image | Pleiocarpamine | C20H22N2O2

Pleiocarpamine

  • Molecular FormulaC20H22N2O2
  • Average mass322.401 Da
  • Monoisotopic mass322.168121 Da
  • ChemSpider ID32775623

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15α,16S,19E)-1,16-Cyclocoryn-19-én-17-oate de méthyle [French] [ACD/IUPAC Name]
2H-2,12-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2S,3E,12bS,13S)- [ACD/Index Name]
6393-66-4 [RN]
Methyl (15α,16S,19E)-1,16-cyclocoryn-19-en-17-oate [ACD/IUPAC Name]
Methyl-(15α,16S,19E)-1,16-cyclocoryn-19-en-17-oat [German] [ACD/IUPAC Name]
Pleiocarpamine
2H-2,12-METHANOINDOLO[2,3-A]QUINOLIZINE-13-CARBOXYLICACID, 3-ETHYLIDENE-1,3,4,6,7,12B-HEXAHYDRO-, METHYL ESTER, (2R,3E,12BS,13S)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3338254/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±28.7 °C
Index of Refraction: 1.707
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 15.11
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 101.35
ACD/KOC (pH 7.4): 704.50
Polar Surface Area: 34 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

Click to predict properties on the Chemicalize site


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