ChemSpider 2D Image | sepetaprost | C26H36F2O6

sepetaprost

  • Molecular FormulaC26H36F2O6
  • Average mass482.557 Da
  • Monoisotopic mass482.247986 Da
  • ChemSpider ID32698273
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

1262873-06-2 [RN]
2H-Cyclopent[b]oxepin-3-butanoic acid, 6-[(1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxy-1-buten-1-yl]octahydro-7-hydroxy-, 1-methylethyl ester, (3S,5aR,6R,7R,8aS)- [ACD/Index Name]
4-{(3S,5aR,6R,7R,8aS)-6-[(1E,3R)-4-(2,5-Difluorophénoxy)-3-hydroxy-1-butén-1-yl]-7-hydroxyoctahydro-2H-cyclopenta[b]oxépin-3-yl}butanoate d'isopropyle [French] [ACD/IUPAC Name]
79O7855J4G
9850
Isopropyl 4-{(3S,5aR,6R,7R,8aS)-6-[(1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxy-1-buten-1-yl]-7-hydroxyoctahydro-2H-cyclopenta[b]oxepin-3-yl}butanoate [ACD/IUPAC Name]
Isopropyl-4-{(3S,5aR,6R,7R,8aS)-6-[(1E,3R)-4-(2,5-difluorphenoxy)-3-hydroxy-1-buten-1-yl]-7-hydroxyoctahydro-2H-cyclopenta[b]oxepin-3-yl}butanoat [German] [ACD/IUPAC Name]
sepetaprost [INN]
sepetaprost [Spanish] [INN]
sépétaprost [French] [INN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 531.45
ACD/KOC (pH 5.5): 3108.07
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 531.45
ACD/KOC (pH 7.4): 3108.06
Polar Surface Area: 85 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement