ChemSpider 2D Image | (5E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl}-5-heptenoic acid | C23H34O5

(5E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl}-5-heptenoic acid

  • Molecular FormulaC23H34O5
  • Average mass390.513 Da
  • Monoisotopic mass390.240631 Da
  • ChemSpider ID58106964
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 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-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phénylpentyl]cyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((S)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoic acid
41639-83-2 [RN]
41639-84-3 [RN]
Latanoprost acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 609.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 336.2±26.6 °C
Index of Refraction: 1.564
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 11.10
ACD/KOC (pH 5.5): 114.54
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 98 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 336.7±3.0 cm3

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