ChemSpider 2D Image | (2R,3R,4E,7S,8Z)-8-[(8S,8aS)-8-Hydroxy-8-methylhexahydro-6(5H)-indolizinylidene]-4,7-dimethyl-4-octene-2,3-diol | C19H33NO3

(2R,3R,4E,7S,8Z)-8-[(8S,8aS)-8-Hydroxy-8-methylhexahydro-6(5H)-indolizinylidene]-4,7-dimethyl-4-octene-2,3-diol

  • Molecular FormulaC19H33NO3
  • Average mass323.470 Da
  • Monoisotopic mass323.246033 Da
  • ChemSpider ID23218741

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4E,7S,8Z)-8-[(8S,8aS)-8-Hydroxy-8-methylhexahydro-6(5H)-indolizinyliden]-4,7-dimethyl-4-octen-2,3-diol [German] [ACD/IUPAC Name]
(2R,3R,4E,7S,8Z)-8-[(8S,8aS)-8-Hydroxy-8-methylhexahydro-6(5H)-indolizinylidene]-4,7-dimethyl-4-octene-2,3-diol [ACD/IUPAC Name]
(2R,3R,4E,7S,8Z)-8-[(8S,8aS)-8-Hydroxy-8-méthylhexahydro-6(5H)-indolizinylidène]-4,7-diméthyl-4-octène-2,3-diol [French] [ACD/IUPAC Name]
(2R,3R,4E,7S,8Z)-8-[(8S,8aS)-8-hydroxy-8-methylhexahydroindolizin-6(5H)-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
4-Octene-2,3-diol, 8-[(8S,8aS)-hexahydro-8-hydroxy-8-methyl-6(5H)-indolizinylidene]-4,7-dimethyl-, (2R,3R,4E,7S,8Z)- [ACD/Index Name]
(2R,3R,4E,7S)-8-[(6Z,8S,8aS)-8-hydroxy-8-methyl-octahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
8-(8-Hydroxy-8-methyl-hexahydro-indolizin-6-ylidene)-4,7-dimethyl-oct-4-ene-2,3-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356956/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 481.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 234.8±27.4 °C
Index of Refraction: 1.556
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 24.58
Polar Surface Area: 64 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


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