ChemSpider 2D Image | Methyl (13E,16R)-16-hydroxy-16-methyl-9-oxoprosta-10,13-dien-1-oate | C22H36O4

Methyl (13E,16R)-16-hydroxy-16-methyl-9-oxoprosta-10,13-dien-1-oate

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID34989671

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(13E,16R)-16-Hydroxy-16-méthyl-9-oxoprosta-10,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (13E,16R)-16-hydroxy-16-methyl-9-oxoprosta-10,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(13E,16R)-16-hydroxy-16-methyl-9-oxoprosta-10,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-10,13-dien-1-oic acid, 16-hydroxy-16-methyl-9-oxo-, methyl ester, (13E,16R)- [ACD/Index Name]
58682-86-3 [RN]
MISOPROSTOL A
UNII-CR40KV45OJ

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

Density: 1.0±0.1 g/cm3
Boiling Point: 479.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 154.8±22.2 °C
Index of Refraction: 1.520
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2558.34
ACD/KOC (pH 5.5): 9572.21
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2558.34
ACD/KOC (pH 7.4): 9572.21
Polar Surface Area: 64 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 351.1±3.0 cm3

Click to predict properties on the Chemicalize site


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