ChemSpider 2D Image | (5Z,9alpha,11alpha,13E)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oic acid | C21H36O5

(5Z,9α,11α,13E)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oic acid

  • Molecular FormulaC21H36O5
  • Average mass368.508 Da
  • Monoisotopic mass368.256287 Da
  • ChemSpider ID71354340
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(5Z,9α,11α,13E)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9α,11α,13E)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9α,11α,13E)-9,11,15-trihydroxy-15-méthylprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9α,11α,13E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 536.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 292.4±26.6 °C
Index of Refraction: 1.565
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 22.41
ACD/KOC (pH 5.5): 189.35
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 98 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 323.5±3.0 cm3

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