ChemSpider 2D Image | (9alpha,11alpha,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oate | C20H33O6

(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oate

  • Molecular FormulaC20H33O6
  • Average mass369.473 Da
  • Monoisotopic mass369.228271 Da
  • ChemSpider ID58163632

  • 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

(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-én-1-oate [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-6-oxo-, ion(1-), (9α,11α,13E,15S)- [ACD/Index Name]
6-oxo-PGF1α(1-)
6-oxo-prostaglandin F1α (1-)
6-oxoprostaglandin F1α(1-)
6-oxo-prostaglandin F1α(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of 6-oxoprostaglandin F1alpha, obtained by deprotonation of the carboxy group; major species at pH ; 7.3. ChEBI CHEBI:133451
      A prostaglandin carboxylic acid anion that is the conjugate base of 6-oxoprostaglandin F1alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133451

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

Density:
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 315.8±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 28.24
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement