ChemSpider 2D Image | (5Z)-5-[(1R,3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl](1-~3~H_1_)hexahydro-2(1H)-pentalenylidene]pentanoic acid | C22H31TO4

(5Z)-5-[(1R,3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl](1-3H1)hexahydro-2(1H)-pentalenylidene]pentanoic acid

  • Molecular FormulaC22H31TO4
  • Average mass362.495 Da
  • Monoisotopic mass362.238281 Da
  • ChemSpider ID26377926

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z)-5-[(1R,3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-in-1-yl](1-3H1)hexahydro-2(1H)-pentalenyliden]pentansäure [German] [ACD/IUPAC Name]
(5Z)-5-[(1R,3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl](1-3H1)hexahydro-2(1H)-pentalenylidene]pentanoic acid [ACD/IUPAC Name]
Acide (5Z)-5-[(1R,3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-méthyl-1-octén-6-yn-1-yl](1-3H1)hexahydro-2(1H)-pentalénylidène]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(1R,3aR,4R,5R,6aS)-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2(1H)-pentalenylidene-1-t]-, (5Z)- [ACD/Index Name]
(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-1-tritio-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
[3H]ciloprost
[3H]iloprost
[3H]-Iloprost
[3H]-Iloprost|[3H]ciloprost|[3H]ventavis
[3H]ventavis
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 539.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 294.0±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 49.60
ACD/KOC (pH 5.5): 335.60
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.37
Polar Surface Area: 78 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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