ChemSpider 2D Image | (9alpha,11alpha,12xi,13E)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic acid | C20H34O6

(9α,11α,12ξ,13E)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic acid

  • Molecular FormulaC20H34O6
  • Average mass370.480 Da
  • Monoisotopic mass370.235535 Da
  • ChemSpider ID31044458

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(9α,11α,12ξ,13E)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(9α,11α,12ξ,13E)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (9α,11α,12ξ,13E)-9,11,15-trihydroxy-6-oxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 9,11,15-trihydroxy-6-oxo-, (9α,11α,12ξ,13E)- [ACD/Index Name]
58962-34-8 [RN]
6-Keto-prostaglandin F1α

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 315.8±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 28.24
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 310.8±3.0 cm3

Click to predict properties on the Chemicalize site


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