ChemSpider 2D Image | (1aR,4Z,7aS,8R,10aS,10bR)-1a,5-Dimethyl-8-{[(1R)-1,2,3,4-tetrahydro-1-naphthalenylamino]methyl}-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | C25H33NO3

(1aR,4Z,7aS,8R,10aS,10bR)-1a,5-Dimethyl-8-{[(1R)-1,2,3,4-tetrahydro-1-naphthalenylamino]methyl}-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID30655449

  • 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

(1aR,4Z,7aS,8R,10aS,10bR)-1a,5-Diméthyl-8-{[(1R)-1,2,3,4-tétrahydro-1-naphtalénylamino]méthyl}-2,3,6,7,7a,8,10a,10b-octahydrooxiréno[9,10]cyclodéca[1,2-b]furan-9(1aH)-one [French] [ACD/IUPAC Name]
(1aR,4Z,7aS,8R,10aS,10bR)-1a,5-Dimethyl-8-{[(1R)-1,2,3,4-tetrahydro-1-naphthalenylamino]methyl}-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one [ACD/IUPAC Name]
(1aR,4Z,7aS,8R,10aS,10bR)-1a,5-Dimethyl-8-{[(1R)-1,2,3,4-tetrahydro-1-naphthalinylamino]methyl}-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-on [German] [ACD/IUPAC Name]
Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-[[[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]methyl]-, (1aR,4Z,7aS,8R,10aS,10bR)- [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: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 11.85
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 114.24
ACD/KOC (pH 7.4): 579.56
Polar Surface Area: 51 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 337.9±5.0 cm3

Click to predict properties on the Chemicalize site


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