ChemSpider 2D Image | Methyl (2'R,3R,5S,5'R)-5-(3-furyl)-2',5'-dimethyl-2-oxo-3',4,4',5,5',6',7',8'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate | C21H26O5

Methyl (2'R,3R,5S,5'R)-5-(3-furyl)-2',5'-dimethyl-2-oxo-3',4,4',5,5',6',7',8'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID28648207
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2'R,3R,5S,5'R)-5-(3-Furyl)-2',5'-diméthyl-2-oxo-3',4,4',5,5',6',7',8'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2'R,3R,5S,5'R)-5-(3-furyl)-2',5'-dimethyl-2-oxo-3',4,4',5,5',6',7',8'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate [ACD/IUPAC Name]
Methyl-(2'R,3R,5S,5'R)-5-(3-furyl)-2',5'-dimethyl-2-oxo-3',4,4',5,5',6',7',8'-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',5,5',6',7',8'-octahydro-2',5'-dimethyl-2-oxo-, methyl ester, (2'R,3R,5S,5'R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 508.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.2±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 630.25
ACD/KOC (pH 5.5): 3511.52
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.25
ACD/KOC (pH 7.4): 3511.52
Polar Surface Area: 66 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 295.1±5.0 cm3

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