ChemSpider 2D Image | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S,5Z)-3-Hydroxy-1,5-octadien-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}-5-heptenoate | C20H29O5

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

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58163618

  • 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,5Z)-3-Hydroxy-1,5-octadien-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,5Z)-3-Hydroxy-1,5-octadien-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,5Z)-3-Hydroxy-1,5-octadién-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,5Z)-3-hydroxy-1,5-octadien-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,,5Z)-3-hydroxyocta-1,5-dien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate
(5Z,9S,11R,13E,15S,17Z)-15-hydroxy-9,11-epidioxyprosta-5,13,17-trienoate
PROSTAGLANDIN H3
prostaglandin H3(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H3, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133134

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

Density:
Boiling Point: 500.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 170.6±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 17.48
ACD/KOC (pH 5.5): 158.35
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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