ChemSpider 2D Image | (5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]vinyl}cyclopentyl]-5-heptenoic acid | C24H32O7

(5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]vinyl}cyclopentyl]-5-heptenoic acid

  • Molecular FormulaC24H32O7
  • Average mass432.507 Da
  • Monoisotopic mass432.214813 Da
  • ChemSpider ID57619244

  • 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

(5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]vinyl}cyclopentyl]-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-{2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]vinyl}cyclopentyl]-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{2-[2-(phénoxyméthyl)-1,3-dioxolan-2-yl]vinyl}cyclopentyl]-5-hepténoïque [French] [ACD/IUPAC Name]
59619-81-7 [RN]
Etiproston [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 200.2±23.6 °C
Index of Refraction: 1.633
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 38.22
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 333.3±3.0 cm3

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