ChemSpider 2D Image | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid | C20H32N2O2

(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid

  • Molecular FormulaC20H32N2O2
  • Average mass332.480 Da
  • Monoisotopic mass332.246368 Da
  • ChemSpider ID35034452

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptensäure [German] [ACD/IUPAC Name]
(5z)-7-{(1r,4s,5r,6r)-6-[(1e)-Oct-1-En-1-Yl]-2,3-Diazabicyclo[2.2.1]hept-2-En-5-Yl}hept-5-Enoic Acid
5-Heptenoic acid, 7-[(1R,4S,5R,6R)-6-[(1E)-1-octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-octén-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-én-5-yl}-5-hepténoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 463.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 233.8±25.7 °C
Index of Refraction: 1.560
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 896.30
ACD/KOC (pH 5.5): 2653.22
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 14.32
ACD/KOC (pH 7.4): 42.39
Polar Surface Area: 62 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 300.6±7.0 cm3

Click to predict properties on the Chemicalize site


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