ChemSpider 2D Image | (5Z,9alpha,11alpha,13E,15S,17Z)-9,11,15-Trihydroxyprosta-5,13,17-trien-1-oate | C20H31O5

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

  • Molecular FormulaC20H31O5
  • Average mass351.458 Da
  • Monoisotopic mass351.217712 Da
  • ChemSpider ID58163630

  • 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,9α,11α,13E,15S,17Z)-9,11,15-Trihydroxyprosta-5,13,17-trien-1-oat [German] [ACD/IUPAC Name]
(5Z,9α,11α,13E,15S,17Z)-9,11,15-Trihydroxyprosta-5,13,17-trien-1-oate [ACD/IUPAC Name]
(5Z,9α,11α,13E,15S,17Z)-9,11,15-Trihydroxyprosta-5,13,17-trién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,13,17-trien-1-oic acid, 9,11,15-trihydroxy-, ion(1-), (5Z,9α,11α,13E,15S,17Z)- [ACD/Index Name]
(5Z,13E,15S,17Z)-9α,11α,15-trihydroxyprosta-5,13,17-trien-1-oate
prostaglandin F3α (1-)
prostaglandin F3α(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F3alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133422
      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F3alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3; . ChEBI CHEBI:133422

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

Density:
Boiling Point: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 295.4±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 36.89
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement