ChemSpider 2D Image | Methyl (5Z,13E,15S)-11-[(2,3-dihydroxypropyl)sulfanyl]-15-hydroxy-9-oxoprosta-5,13-dien-1-oate | C24H40O6S

Methyl (5Z,13E,15S)-11-[(2,3-dihydroxypropyl)sulfanyl]-15-hydroxy-9-oxoprosta-5,13-dien-1-oate

  • Molecular FormulaC24H40O6S
  • Average mass456.636 Da
  • Monoisotopic mass456.254547 Da
  • ChemSpider ID24684146

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5Z,13E,15S)-11-[(2,3-Dihydroxypropyl)sulfanyl]-15-hydroxy-9-oxoprosta-5,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5Z,13E,15S)-11-[(2,3-dihydroxypropyl)sulfanyl]-15-hydroxy-9-oxoprosta-5,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(5Z,13E,15S)-11-[(2,3-dihydroxypropyl)sulfanyl]-15-hydroxy-9-oxoprosta-5,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11-[(2,3-dihydroxypropyl)thio]-15-hydroxy-9-oxo-, methyl ester, (5Z,13E,15S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL368612/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.94
ACD/KOC (pH 5.5): 850.55
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.94
ACD/KOC (pH 7.4): 850.55
Polar Surface Area: 129 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

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