ChemSpider 2D Image | (3S,3aR,5S,8aR,9aR)-3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one | C25H35NO4

(3S,3aR,5S,8aR,9aR)-3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID68646730

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3aR,5S,8aR,9aR)-3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3S,3aR,5S,8aR,9aR)-3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino]methyl}-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one [ACD/IUPAC Name]
(3S,3aR,5S,8aR,9aR)-3-{[(2-Furylméthyl)(tétrahydro-2-furanylméthyl)amino]méthyl}-5,8a-diméthyl-3a,5,6,7,8,8a,9,9a-octahydronaphto[2,3-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(3H)-one, 3-[[(2-furanylmethyl)[(tetrahydro-2-furanyl)methyl]amino]methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-, (3S,3aR,5S,8aR,9aR)- [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: 549.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.2±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 134.65
ACD/KOC (pH 5.5): 592.82
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1284.83
ACD/KOC (pH 7.4): 5656.66
Polar Surface Area: 52 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

Click to predict properties on the Chemicalize site


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