ChemSpider 2D Image | (9alpha,11alpha,15S,17E)-9,11,15-Trihydroxy-6-oxoprosta-13,17-dien-1-oic acid | C20H32O6

(9α,11α,15S,17E)-9,11,15-Trihydroxy-6-oxoprosta-13,17-dien-1-oic acid

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID58186571

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9α,11α,15S,17E)-9,11,15-Trihydroxy-6-oxoprosta-13,17-dien-1-oic acid [ACD/IUPAC Name]
(9α,11α,15S,17E)-9,11,15-Trihydroxy-6-oxoprosta-13,17-dien-1-säure [German] [ACD/IUPAC Name]
Acide (9α,11α,15S,17E)-9,11,15-trihydroxy-6-oxoprosta-13,17-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-13,17-dien-1-oic acid, 9,11,15-trihydroxy-6-oxo-, (9α,11α,15S,17E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 322.9±26.6 °C
Index of Refraction: 1.576
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.06
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

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