ChemSpider 2D Image | Methyl (3xi,16E,20xi)-16-(methoxymethylene)coryn-18-en-17-oate | C22H26N2O3

Methyl (3ξ,16E,20ξ)-16-(methoxymethylene)coryn-18-en-17-oate

  • Molecular FormulaC22H26N2O3
  • Average mass366.453 Da
  • Monoisotopic mass366.194336 Da
  • ChemSpider ID23191752

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3ξ,16E,20ξ)-16-(Méthoxyméthylène)coryn-18-én-17-oate de méthyle [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (αE,2S)- [ACD/Index Name]
Methyl (3ξ,16E,20ξ)-16-(methoxymethylene)coryn-18-en-17-oate [ACD/IUPAC Name]
methyl (3ξ,16E,20ξ)-16-(methoxymethylidene)coryn-18-en-17-oate
Methyl-(3ξ,16E,20ξ)-16-(methoxymethylen)coryn-18-en-17-oat [German] [ACD/IUPAC Name]
(E)-3-Methoxy-2-((S)-3-vinyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-acrylic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL326900/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 47.50
ACD/KOC (pH 7.4): 285.10
Polar Surface Area: 55 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 300.0±5.0 cm3

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