ChemSpider 2D Image | (3S,3aR,8aR,9aR)-3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one | C25H35NO4

(3S,3aR,8aR,9aR)-3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID68475530

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,3aR,8aR,9aR)-3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-8a-methyl-5-methylendecahydronaphtho[2,3-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3S,3aR,8aR,9aR)-3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one [ACD/IUPAC Name]
(3S,3aR,8aR,9aR)-3-({[2-(3,4-Diméthoxyphényl)éthyl]amino}méthyl)-8a-méthyl-5-méthylènedécahydronaphto[2,3-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(3H)-one, 3-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]decahydro-8a-methyl-5-methylene-, (3S,3aR,8aR,9aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.3±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.89
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 21.80
ACD/KOC (pH 7.4): 111.00
Polar Surface Area: 57 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 363.6±5.0 cm3

Click to predict properties on the Chemicalize site


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