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Search term: CMBOTAQMTNMTBD-KLASNZEFSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5,11,13-trien-1-oate | C20H29O4

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

  • Molecular FormulaC20H29O4
  • Average mass333.442 Da
  • Monoisotopic mass333.207123 Da
  • ChemSpider ID58170387

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5,11,13-trien-1-oat [German] [ACD/IUPAC Name]
(5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5,11,13-trien-1-oate [ACD/IUPAC Name]
(5Z,13E,15S)-15-Hydroxy-9-oxoprosta-5,11,13-trién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,11,13-trien-1-oic acid, 15-hydroxy-9-oxo-, ion(1-), (5Z,13E,15S)- [ACD/Index Name]
PGC2
Prostaglandin C2
prostaglandin C2(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin C2, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133392

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

Density:
Boiling Point: 522.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 284.1±23.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 26.83
ACD/KOC (pH 5.5): 214.30
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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