ChemSpider 2D Image | (5E,9alpha,11alpha,13E,15S)-9,11,15,20-Tetrahydroxyprosta-5,13-dien-1-oic acid | C20H34O6

(5E,9α,11α,13E,15S)-9,11,15,20-Tetrahydroxyprosta-5,13-dien-1-oic acid

  • Molecular FormulaC20H34O6
  • Average mass370.480 Da
  • Monoisotopic mass370.235535 Da
  • ChemSpider ID59696949

  • 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

(5E,9α,11α,13E,15S)-9,11,15,20-Tetrahydroxyprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,9α,11α,13E,15S)-9,11,15,20-Tetrahydroxyprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,9α,11α,13E,15S)-9,11,15,20-tétrahydroxyprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,11,15,20-tetrahydroxy-, (5E,9α,11α,13E,15S)- [ACD/Index Name]
20-hydroxy-PGF2a
7-[(3R,5S)-2-[(3S)-3,8-dihydroxyoct-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 336.8±28.0 °C
Index of Refraction: 1.586
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.29
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

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