ChemSpider 2D Image | [(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate | C24H28O9

[(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate

  • Molecular FormulaC24H28O9
  • Average mass460.474 Da
  • Monoisotopic mass460.173340 Da
  • ChemSpider ID22913084

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl acetate [ACD/IUPAC Name]
[(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-Acetoxy-5-(3-furyl)-2'-methyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(2'R,3R,4a'S,5S,5'R,6'S,8a'S)-6'-acétoxy-5-(3-furyl)-2'-méthyl-2,4'-dioxooctahydrodispiro[furan-3,1'-naphthalene-5',2''-oxiran]-4a'(2'H)-yl]méthyle [French] [ACD/IUPAC Name]
Dispiro[furan-3(2H),1'(5'H)-naphthalene-5',2''-oxirane]-2,4'(6'H)-dione, 6'-(acetyloxy)-4'a-[(acetyloxy)methyl]-5-(3-furanyl)octahydro-2'-methyl-, (2'R,3R,4a'S,5S,5'R,6'S,8a'S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.49
ACD/KOC (pH 5.5): 199.87
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.49
ACD/KOC (pH 7.4): 199.87
Polar Surface Area: 122 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 339.0±5.0 cm3

Click to predict properties on the Chemicalize site


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