Found 1 result

Search term: WPAYHTRLEHKDHP-UBEAGDKLSA-M (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 15-deoxy-Delta(12,14)-prostaglandin D2 | C20H30O3

15-deoxy-δ(12,14)-prostaglandin D2

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID27471353

  • 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,9α,12Z,14E)-9-Hydroxyprosta-5,10,12,14-tetraen-1-oic acid [ACD/IUPAC Name]
(5Z,9α,12Z,14E)-9-Hydroxyprosta-5,10,12,14-tetraen-1-säure [German] [ACD/IUPAC Name]
15-deoxy-δ(12,14)-prostaglandin D2
Acide (5Z,9α,12Z,14E)-9-hydroxyprosta-5,10,12,14-tétraén-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,10,12,14-tetraen-1-oic acid, 9-hydroxy-, (5Z,9α,12Z,14E)- [ACD/Index Name]
(5Z)-7-[(1S,2E,5R)-5-hydroxy-2-[(2Z)-oct-2-en-1-ylidene]-3-oxocyclopentyl]hept-5-enoic acid
15-deoxy-δ-12,14-PGD2
15-deoxy-δ-12,14-prostaglandin D2
15d-PGD2
9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid

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

CHEBI:63999 [DBID]
  • Miscellaneous

    • Chemical Class:

      A prostaglandin D derivative that is prostaglandin D<smallsub>2</smallsub> lacking the 15-hydroxy group and having C<bond>2</bond>C double bonds at positions 12(13) and 14(15). ChEBI CHEBI:63999
      A prostaglandin D derivative that is prostaglandin D2 lacking the 15-hydroxy group and having C=C double bonds at positions 12(13) and 14(15). ChEBI CHEBI:63999
      A prostaglandin D derivative that is prostaglandin D2 lacking the 15-hydroxy group and having C2C double bonds at positions 12(13) and 14(15). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63999

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 268.8±19.7 °C
Index of Refraction: 1.567
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 406.21
ACD/KOC (pH 5.5): 1504.40
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 24.03
Polar Surface Area: 58 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 297.2±3.0 cm3

Click to predict properties on the Chemicalize site


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