ChemSpider 2D Image | (5Z,11alpha,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oate | C20H29O5

(5Z,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oate

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58170357

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oat [German] [ACD/IUPAC Name]
(5Z,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oate [ACD/IUPAC Name]
(5Z,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,13,17-trien-1-oic acid, 11,15-dihydroxy-9-oxo-, ion(1-), (5Z,11α,13E,15S,17Z)- [ACD/Index Name]
(5Z,13E,15S,17Z)-11α,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oate
Prostaglandin E3 [Wiki]
prostaglandin E3(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin E3, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133132

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

Density:
Boiling Point: 541.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 295.0±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 25.78
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement