ChemSpider 2D Image | (5Z,9beta,11alpha,15S)-11-Hydroxy-15-methoxy-6,9-epoxyprosta-5,13-dien-1-oic acid | C21H34O5

(5Z,9β,11α,15S)-11-Hydroxy-15-methoxy-6,9-epoxyprosta-5,13-dien-1-oic acid

  • Molecular FormulaC21H34O5
  • Average mass366.492 Da
  • Monoisotopic mass366.240631 Da
  • ChemSpider ID25996815

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5Z,9β,11α,15S)-11-Hydroxy-15-methoxy-6,9-epoxyprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,9β,11α,15S)-11-Hydroxy-15-methoxy-6,9-epoxyprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,9β,11α,15S)-11-hydroxy-15-méthoxy-6,9-époxyprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11-hydroxy-15-methoxy-, (5Z,9β,11α,15S)- [ACD/Index Name]
(5Z)-5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-methoxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic 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: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 171.3±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 30.67
ACD/KOC (pH 5.5): 229.13
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 76 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 314.0±3.0 cm3

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