ChemSpider 2D Image | ONO-AG-367 | C23H30F2O6

ONO-AG-367

  • Molecular FormulaC23H30F2O6
  • Average mass440.478 Da
  • Monoisotopic mass440.201050 Da
  • ChemSpider ID52085326

  • 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

1262873-48-2 [RN]
2H-Cyclopent[b]oxepin-3-butanoic acid, 6-[(1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxy-1-buten-1-yl]octahydro-7-hydroxy-, (3S,5aR,6R,7R,8aS)- [ACD/Index Name]
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}butanoic acid [ACD/IUPAC Name]
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}butansäure [German] [ACD/IUPAC Name]
Acide 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}butanoïque [French] [ACD/IUPAC Name]
ONO-AG-367
T70C4DX25X
UNII:T70C4DX25X

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 9.45
ACD/KOC (pH 5.5): 104.61
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.69
Polar Surface Area: 96 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

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