ChemSpider 2D Image | (4E)-6-{(1S,3R,5S)-3,5-Dihydroxy-2-[(1E,5E,8E)-3-hydroxy-1,5,8-undecatrien-1-yl]cyclopentyl}-4-hexenoic acid | C22H34O5

(4E)-6-{(1S,3R,5S)-3,5-Dihydroxy-2-[(1E,5E,8E)-3-hydroxy-1,5,8-undecatrien-1-yl]cyclopentyl}-4-hexenoic acid

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID25996695

  • 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

(4E)-6-{(1S,3R,5S)-3,5-Dihydroxy-2-[(1E,5E,8E)-3-hydroxy-1,5,8-undecatrien-1-yl]cyclopentyl}-4-hexenoic acid [ACD/IUPAC Name]
(4E)-6-{(1S,3R,5S)-3,5-Dihydroxy-2-[(1E,5E,8E)-3-hydroxy-1,5,8-undecatrien-1-yl]cyclopentyl}-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[(1S,3R,5S)-3,5-dihydroxy-2-[(1E,5E,8E)-3-hydroxy-1,5,8-undecatrien-1-yl]cyclopentyl]-, (4E)- [ACD/Index Name]
Acide (4E)-6-{(1S,3R,5S)-3,5-dihydroxy-2-[(1E,5E,8E)-3-hydroxy-1,5,8-undécatrién-1-yl]cyclopentyl}-4-hexénoïque [French] [ACD/IUPAC Name]
(Z)-6-[(1R,3R,5S)-3,5-dihydroxy-2-[(1E,5E,8Z)-3-hydroxyundeca-1,5,8-trienyl]cyclopentyl]hex-4-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 312.5±26.6 °C
Index of Refraction: 1.587
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 45.40
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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