ChemSpider 2D Image | (5Z)-7-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoic acid | C22H29FO5

(5Z)-7-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoic acid

  • Molecular FormulaC22H29FO5
  • Average mass392.461 Da
  • Monoisotopic mass392.199890 Da
  • ChemSpider ID32698585

  • 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

(5Z)-7-{(1R,2R,3R,5R)-5-Fluor-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoic acid [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(3R)-3-hydroxy-4-phénoxy-1-butén-1-yl]cyclopentyl}-5-hepténoïque [French] [ACD/IUPAC Name]
Flunoprost [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.6±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 92.60
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 87 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 322.7±5.0 cm3

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