ChemSpider 2D Image | Isopropyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenoxypentyl]cyclopentyl}-5-heptenoate | C26H40O6

Isopropyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenoxypentyl]cyclopentyl}-5-heptenoate

  • Molecular FormulaC26H40O6
  • Average mass448.592 Da
  • Monoisotopic mass448.282501 Da
  • ChemSpider ID32055545

  • 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,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-phénoxypentyl]cyclopentyl}-5-hepténoate d'isopropyle [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenoxypentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)- [ACD/Index Name]
Isopropyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenoxypentyl]cyclopentyl}-5-heptenoate [ACD/IUPAC Name]
Isopropyl-(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenoxypentyl]cyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
17-phenoxy trinor Prostaglandin F2? isopropyl ester
9?,11?,15S-trihydroxy-17-phenoxy-prosta-5Z,13E-dien-1-oic acid, isopropyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 190.6±23.6 °C
Index of Refraction: 1.534
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 367.16
ACD/KOC (pH 5.5): 2385.23
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 367.16
ACD/KOC (pH 7.4): 2385.23
Polar Surface Area: 96 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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