ChemSpider 2D Image | (5Z)-7-[(2R,3R)-3-(5-Phenylpentyl)-3-(3-pyridinyl)bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid | C30H39NO2

(5Z)-7-[(2R,3R)-3-(5-Phenylpentyl)-3-(3-pyridinyl)bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

  • Molecular FormulaC30H39NO2
  • Average mass445.636 Da
  • Monoisotopic mass445.298065 Da
  • ChemSpider ID23145835

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5Z)-7-[(2R,3R)-3-(5-Phenylpentyl)-3-(3-pyridinyl)bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-[(2R,3R)-3-(5-Phenylpentyl)-3-(3-pyridinyl)bicyclo[2.2.1]hept-2-yl]-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(2R,3R)-3-(5-phenylpentyl)-3-(3-pyridinyl)bicyclo[2.2.1]hept-2-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-[(2R,3R)-3-(5-phénylpentyl)-3-(3-pyridinyl)bicyclo[2.2.1]hept-2-yl]-5-hepténoïque [French] [ACD/IUPAC Name]
7-[3-(5-Phenyl-pentyl)-3-pyridin-3-yl-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL301520/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 605.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.2±24.6 °C
Index of Refraction: 1.559
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 6866.73
ACD/KOC (pH 5.5): 9565.53
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 205.25
ACD/KOC (pH 7.4): 285.92
Polar Surface Area: 50 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 417.2±3.0 cm3

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