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

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

  • Molecular FormulaC20H33O5
  • Average mass353.474 Da
  • Monoisotopic mass353.233337 Da
  • ChemSpider ID34448526

  • 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,13E,15S)-9,15-Dihydroxy-11-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
(9α,13E,15S)-9,15-Dihydroxy-11-oxoprost-13-en-1-oate [ACD/IUPAC Name]
(9α,13E,15S)-9,15-Dihydroxy-11-oxoprost-13-én-1-oate [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,15-dihydroxy-11-oxo-, ion(1-), (9α,13E,15S)- [ACD/Index Name]
(13E,15S)-9α,15-dihydroxy-11-oxoprost-13-en-1-oate
Prostaglandin D1
prostaglandin D1(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:79010

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

Density:
Boiling Point: 544.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 297.2±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: 2.38
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 12.99
ACD/KOC (pH 5.5): 129.31
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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