ChemSpider 2D Image | (9Z)-1-[(2S,3S)-2,3-Diphenyl-1-azetidinyl]-9-octadecen-1-one | C33H47NO

(9Z)-1-[(2S,3S)-2,3-Diphenyl-1-azetidinyl]-9-octadecen-1-one

  • Molecular FormulaC33H47NO
  • Average mass473.732 Da
  • Monoisotopic mass473.365753 Da
  • ChemSpider ID23242699

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9Z)-1-[(2S,3S)-2,3-Diphenyl-1-azetidinyl]-9-octadecen-1-on [German] [ACD/IUPAC Name]
(9Z)-1-[(2S,3S)-2,3-Diphenyl-1-azetidinyl]-9-octadecen-1-one [ACD/IUPAC Name]
(9Z)-1-[(2S,3S)-2,3-Diphényl-1-azétidinyl]-9-octadécén-1-one [French] [ACD/IUPAC Name]
(9Z)-1-[(2S,3S)-2,3-diphenylazetidin-1-yl]octadec-9-en-1-one
9-Octadecen-1-one, 1-[(2S,3S)-2,3-diphenyl-1-azetidinyl]-, (9Z)- [ACD/Index Name]
(Z)-1-((2S,3S)-2,3-Diphenyl-azetidin-1-yl)-octadec-9-en-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL368840/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 242.1±22.1 °C
Index of Refraction: 1.537
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 479.4±3.0 cm3

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