ChemSpider 2D Image | (5E,8beta,9alpha,11alpha,15S)-11,15-Dihydroxy-9-methoxyprosta-5,13-dien-1-oic acid | C21H36O5

(5E,8β,9α,11α,15S)-11,15-Dihydroxy-9-methoxyprosta-5,13-dien-1-oic acid

  • Molecular FormulaC21H36O5
  • Average mass368.508 Da
  • Monoisotopic mass368.256287 Da
  • ChemSpider ID25996813

  • 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

(5E,8β,9α,11α,15S)-11,15-Dihydroxy-9-methoxyprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5E,8β,9α,11α,15S)-11,15-Dihydroxy-9-methoxyprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,8β,9α,11α,15S)-11,15-dihydroxy-9-méthoxyprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-methoxy-, (5E,8β,9α,11α,15S)- [ACD/Index Name]
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxycyclopentyl]hept-5-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 169.7±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 25.55
ACD/KOC (pH 5.5): 208.17
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.33
Polar Surface Area: 87 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 339.8±5.0 cm3

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