ChemSpider 2D Image | 5-trans U-46619 | C21H34O4

5-trans U-46619

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID23110444

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5E)-7-{(5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-{(5S,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}-5-heptensäure [German] [ACD/IUPAC Name]
330796-58-2 [RN]
5-Heptenoic acid, 7-[(5S,6R)-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5E)- [ACD/Index Name]
5-trans U-46619
Acide (5E)-7-{(5S,6R)-6-[(1E,3S)-3-hydroxy-1-octén-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
(5E)-7-{(5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
(E)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
(E)-7-[(5S,6R)-6-((E)-(S)-3-Hydroxy-oct-1-enyl)-2-oxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid
9,11-dideoxy-9?,11?-methanoepoxy-prosta-5E,13E-dien-1-oic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 519.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 176.1±18.1 °C
Index of Refraction: 1.548
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 161.70
ACD/KOC (pH 5.5): 778.93
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 12.45
Polar Surface Area: 67 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


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