ChemSpider 2D Image | (5Z,9alpha,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oate | C20H29O5

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

  • Molecular FormulaC20H29O5
  • Average mass349.442 Da
  • Monoisotopic mass349.202057 Da
  • ChemSpider ID58170270

  • 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,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oat [German] [ACD/IUPAC Name]
(5Z,9α,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oate [ACD/IUPAC Name]
(5Z,9α,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,13,17-trien-1-oic acid, 9,15-dihydroxy-11-oxo-, ion(1-), (5Z,9α,13E,15S,17Z)- [ACD/Index Name]
(5Z,13E,15S,17Z)-9α,15-dihydroxy-11-oxoprosta-5,13,17-trien-1-oate
PGD3(1-)
Prostaglandin D3
prostaglandin D3(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D3, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:132149

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

Density:
Boiling Point: 561.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 307.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 27.67
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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