ChemSpider 2D Image | (5Z,9alpha,11alpha)-9,11-Dihydroxy-15-oxoprost-5-en-1-oate | C20H33O5

(5Z,9α,11α)-9,11-Dihydroxy-15-oxoprost-5-en-1-oate

  • Molecular FormulaC20H33O5
  • Average mass353.474 Da
  • Monoisotopic mass353.233337 Da
  • ChemSpider ID58163625

  • 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,9α,11α)-9,11-Dihydroxy-15-oxoprost-5-en-1-oat [German] [ACD/IUPAC Name]
(5Z,9α,11α)-9,11-Dihydroxy-15-oxoprost-5-en-1-oate [ACD/IUPAC Name]
(5Z,9α,11α)-9,11-Dihydroxy-15-oxoprost-5-én-1-oate [French] [ACD/IUPAC Name]
Prost-5-en-1-oic acid, 9,11-dihydroxy-15-oxo-, ion(1-), (5Z,9α,11α)- [ACD/Index Name]
13,14-dihydro-15-keto-PGF2α (1-)
13,14-dihydro-15-keto-PGF2α(1-)
13,14-dihydro-15-ketoprostaglandin F2α(1-)
13,14-dihydro-15-oxo-PGF2α
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-15-keto-PGF2alpha, obtained by deprotonation of the carboxy group; major species a; t pH 7.3. ChEBI CHEBI:133374
      A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-15-keto-PGF2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133374

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

Density:
Boiling Point: 543.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 296.2±23.8 °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: 2.13
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 13.09
ACD/KOC (pH 5.5): 128.89
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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