ChemSpider 2D Image | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoate | C20H31O5

(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoate

  • Molecular FormulaC20H31O5
  • Average mass351.458 Da
  • Monoisotopic mass351.217712 Da
  • ChemSpider ID26330775

  • Charge - Charge

    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,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoat [German] [ACD/IUPAC Name]
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoate [ACD/IUPAC Name]
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octén-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-hepténoate [French] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl]-, ion(1-), (5Z)- [ACD/Index Name]
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoate
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoate; (5Z,13E,15S)-9α,11α-epidioxy-15-hydroxyprosta-5,13-dienoate
(5Z, 13E)-(15S)-9&α;,11&α;-epidioxy-15-hydroxyprosta-5,13-dienoate
(5Z,13E)-(15S)-9&α;,11&α;-epidioxy-15-hydroxyprosta-5,13-dienoate
(5Z,13E,15S)-9α,11α-epidioxy-15-hydroxyprosta-5,13-dienoate
(5Z,9&α;,11&;α;,13E,15S)-9,11-epidioxy-15-hydroxy-prosta-5,13-dienoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 490.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 165.5±20.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 48.16
ACD/KOC (pH 5.5): 327.07
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.22
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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