ChemSpider 2D Image | (1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | C26H36N2O5

(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

  • Molecular FormulaC26H36N2O5
  • Average mass456.574 Da
  • Monoisotopic mass456.262421 Da
  • ChemSpider ID30657479

  • 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

(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-on [German] [ACD/IUPAC Name]
(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one [ACD/IUPAC Name]
(1aS,4Z,6S,7aR,8S,10aR,10bS)-6-Hydroxy-8-{[4-(4-méthoxyphényl)-1-pipérazinyl]méthyl}-1a,5-diméthyl-2,3,6,7,7a,8,10a,10b-octahydrooxiréno[9,10]cyclodéca[1,2-b]furan-9(1aH)-one [French] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-6-hydroxy-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1a,5-dimethyl-, (1aS,4Z,6S,7aR,8S,10aR,10bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.54
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 14.82
ACD/KOC (pH 7.4): 222.82
Polar Surface Area: 75 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 382.4±3.0 cm3

Click to predict properties on the Chemicalize site


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