ChemSpider 2D Image | Misoprostol-d5 | C22H33D5O5

Misoprostol-d5

  • Molecular FormulaC22H33D5O5
  • Average mass387.565 Da
  • Monoisotopic mass387.303314 Da
  • ChemSpider ID58783040
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(11α,13E)-11,16-Dihydroxy-16-(2H3)méthyl-9-oxo(17,17-2H2)prost-13-én-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (11α,13E)-11,16-dihydroxy-16-(2H3)methyl-9-oxo(17,17-2H2)prost-13-en-1-oate [ACD/IUPAC Name]
Methyl-(11α,13E)-11,16-dihydroxy-16-(2H3)methyl-9-oxo(17,17-2H2)prost-13-en-1-oat [German] [ACD/IUPAC Name]
Misoprostol-d5
Prost-13-en-1-oic-17,17-d2 acid, 11,16-dihydroxy-16-(methyl-d3)-9-oxo-, methyl ester, (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: 497.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 160.4±22.2 °C
Index of Refraction: 1.525
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.04
ACD/KOC (pH 5.5): 1443.58
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.04
ACD/KOC (pH 7.4): 1443.58
Polar Surface Area: 84 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 354.8±3.0 cm3

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