ChemSpider 2D Image | (5Z,13E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,13,17-tetraen-1-oatato | C20H27O4

(5Z,13E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,13,17-tetraen-1-oatato

  • Molecular FormulaC20H27O4
  • Average mass331.427 Da
  • Monoisotopic mass331.191498 Da
  • ChemSpider ID76963184

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5Z,13E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,13,17-tetraen-1-oat [German] [ACD/IUPAC Name]
(5Z,13E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,13,17-tetraen-1-oatato [ACD/IUPAC Name]
(5Z,13E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,13,17-tétraén-1-oate [French] [ACD/IUPAC Name]
Prosta-5,9,13,17-tetraen-1-oato, 15-hydroxy-11-oxo-, ion(1-), (5Z,13E,15S,17Z)- [ACD/Index Name]
(5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoate
(5Z,9Z,13E,15S,17Z)-hydroxy-11-oxoprostatetraenoate
PGJ3(1-)
prostaglandin J3(1-)

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

Density:
Boiling Point: 529.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 287.9±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 22.55
ACD/KOC (pH 5.5): 189.51
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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