ChemSpider 2D Image | (8beta,11beta)-11-Hydroxy-9,15-dioxo(3,3,4,4-~2~H_4_)prostan-1-oic acid | C20H30D4O5

(8β,11β)-11-Hydroxy-9,15-dioxo(3,3,4,4-2H4)prostan-1-oic acid

  • Molecular FormulaC20H30D4O5
  • Average mass358.506 Da
  • Monoisotopic mass358.265717 Da
  • ChemSpider ID21467486

  • defined stereocentres - 1 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8β,11β)-11-Hydroxy-9,15-dioxo(3,3,4,4-2H4)prostan-1-oic acid [ACD/IUPAC Name]
(8β,11β)-11-Hydroxy-9,15-dioxo(3,3,4,4-2H4)prostan-1-säure [German] [ACD/IUPAC Name]
Acide (8β,11β)-11-hydroxy-9,15-dioxo(3,3,4,4-2H4)prostan-1-oïque [French] [ACD/IUPAC Name]
Prostan-1-oic-3,3,4,4-d4 acid, 11-hydroxy-9,15-dioxo-, (8β,11β)- [ACD/Index Name]
13,14-dihydro-15-keto Prostaglandin E1-d4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 537.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 292.7±22.4 °C
Index of Refraction: 1.492
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 9.63
ACD/KOC (pH 5.5): 104.28
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 92 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 330.7±3.0 cm3

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