ChemSpider 2D Image | (5Z)-7-{(1R,5S,6R,7R)-7-[(1E)-3-Hydroxy-1-octen-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl}-N-isopropyl-5-heptenamide | C24H39NO5

(5Z)-7-{(1R,5S,6R,7R)-7-[(1E)-3-Hydroxy-1-octen-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl}-N-isopropyl-5-heptenamide

  • Molecular FormulaC24H39NO5
  • Average mass421.570 Da
  • Monoisotopic mass421.282837 Da
  • ChemSpider ID23157899

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5Z)-7-{(1R,5S,6R,7R)-7-[(1E)-3-Hydroxy-1-octen-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl}-N-isopropyl-5-heptenamid [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,5S,6R,7R)-7-[(1E)-3-Hydroxy-1-octen-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl}-N-isopropyl-5-heptenamide [ACD/IUPAC Name]
(5Z)-7-{(1R,5S,6R,7R)-7-[(1E)-3-Hydroxy-1-octén-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl}-N-isopropyl-5-hepténamide [French] [ACD/IUPAC Name]
(5Z)-7-{(1R,5S,6R,7R)-7-[(1E)-3-hydroxyoct-1-en-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl}-N-(propan-2-yl)hept-5-enamide
5-Heptenamide, 7-[(1R,5S,6R,7R)-7-[(1E)-3-hydroxy-1-octen-1-yl]-3-oxo-2,4-dioxabicyclo[3.2.1]oct-6-yl]-N-(1-methylethyl)-, (5Z)- [ACD/Index Name]
(Z)-7-[(1R,5S,6R,7R)-7-((E)-3-Hydroxy-oct-1-enyl)-3-oxo-2,4-dioxa-bicyclo[3.2.1]oct-6-yl]-hept-5-enoic acid isopropylamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL303777/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 331.4±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 119.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.82
ACD/KOC (pH 5.5): 2180.10
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 323.82
ACD/KOC (pH 7.4): 2180.10
Polar Surface Area: 85 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 387.4±3.0 cm3

Click to predict properties on the Chemicalize site


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