ChemSpider 2D Image | (9alpha,11alpha,13E)-9,11-Dihydroxy-15-oxoprost-13-en-1-oate | C20H33O5

(9α,11α,13E)-9,11-Dihydroxy-15-oxoprost-13-en-1-oate

  • Molecular FormulaC20H33O5
  • Average mass353.474 Da
  • Monoisotopic mass353.233337 Da
  • ChemSpider ID34448537

  • 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

(9α,11α,13E)-9,11-Dihydroxy-15-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E)-9,11-Dihydroxy-15-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(9α,11α,13E)-9,11-Dihydroxy-15-oxoprost-13-én-1-oate [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11-dihydroxy-15-oxo-, ion(1-), (9α,11α,13E)- [ACD/Index Name]
15-ketoprostaglandin F1α(1-)
15-oxoprostaglandin F1α
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of 15-ketoprostaglandin F1alpha, obtained by deprotonation of the carboxy group; major species at p; H 7.3. ChEBI CHEBI:79072
      A prostaglandin carboxylic acid anion that is the conjugate base of 15-ketoprostaglandin F1alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:79072

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

Density:
Boiling Point: 530.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 288.7±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 15.41
ACD/KOC (pH 5.5): 146.25
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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