ChemSpider 2D Image | Methyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoate | C23H32O6

Methyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoate

  • Molecular FormulaC23H32O6
  • Average mass404.497 Da
  • Monoisotopic mass404.219879 Da
  • ChemSpider ID23222748

  • 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-[(1E,3R)-3-hydroxy-4-phénoxy-1-butén-1-yl]cyclopentyl}-5-hepténoate de méthyle [French] [ACD/IUPAC Name]
51638-90-5 [RN]
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoate [ACD/IUPAC Name]
methyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxybut-1-en-1-yl]cyclopentyl}hept-5-enoate
Methyl-(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl}-5-heptenoat [German] [ACD/IUPAC Name]
16-phenoxy tetranor Prostaglandin F2? methyl ester
16-phenoxy tetranor Prostaglandin F2?? methyl ester
54348-08-2 [RN]
7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl)-cyclopentyl]-hept-5-enoic acid methyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 562.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 187.8±23.6 °C
Index of Refraction: 1.592
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.34
ACD/KOC (pH 5.5): 390.89
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.34
ACD/KOC (pH 7.4): 390.89
Polar Surface Area: 96 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 335.1±3.0 cm3

Click to predict properties on the Chemicalize site


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