ChemSpider 2D Image | Methyl (2'S,3S,4a'S,8a'S)-5-(3-furyl)-2',4a'-dimethyl-2-oxo-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate | C21H26O5

Methyl (2'S,3S,4a'S,8a'S)-5-(3-furyl)-2',4a'-dimethyl-2-oxo-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID58841549

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2'S,3S,4a'S,8a'S)-5-(3-Furyl)-2',4a'-diméthyl-2-oxo-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2'S,3S,4a'S,8a'S)-5-(3-furyl)-2',4a'-dimethyl-2-oxo-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate [ACD/IUPAC Name]
Methyl-(2'S,3S,4a'S,8a'S)-5-(3-furyl)-2',4a'-dimethyl-2-oxo-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylat [German] [ACD/IUPAC Name]
Spiro[furan-3(2H),1'(2'H)-naphthalene]-5'-carboxylic acid, 5-(3-furanyl)-3',4,4',4'a,5,7',8',8'a-octahydro-2',4'a-dimethyl-2-oxo-, methyl ester, (2'S,3S,4a'S,8a'S)- [ACD/Index Name]
79405-82-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.4±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 752.69
ACD/KOC (pH 5.5): 3987.34
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 752.69
ACD/KOC (pH 7.4): 3987.34
Polar Surface Area: 66 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 295.9±5.0 cm3

Click to predict properties on the Chemicalize site


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