ChemSpider 2D Image | (3S,5S,5a'S,7'R,8a'R)-5-(3-Furyl)-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione | C19H20O5

(3S,5S,5a'S,7'R,8a'R)-5-(3-Furyl)-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione

  • Molecular FormulaC19H20O5
  • Average mass328.359 Da
  • Monoisotopic mass328.131073 Da
  • ChemSpider ID127384613

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,5S,5a'S,7'R,8a'R)-5-(3-Furyl)-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro[furan-3,6'-naphtho[1,8-bc]furan]-2,2'(4'H)-dione [ACD/IUPAC Name]
Spiro[furan-3(2H),6'-[6H]naphtho[1,8-bc]furan]-2,2'(4'H)-dione, 5-(3-furanyl)-3',4,5,5',5'a,7',8',8'a-octahydro-7'-methyl-, (3S,5S,5a'S,7'R,8a'R)- [ACD/Index Name]
(1R,5'S,8S,9R,10R)-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
72541-00-5 [RN]
teuflin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.77
ACD/KOC (pH 5.5): 441.34
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.77
ACD/KOC (pH 7.4): 441.34
Polar Surface Area: 66 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 244.8±5.0 cm3

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