ChemSpider 2D Image | (2''R,5'R,5''R,6''S,8a''S)-5''-[(2-Furoyloxy)methyl]-2'',5'',8a''-trimethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl 2-furoate | C30H36O9

(2''R,5'R,5''R,6''S,8a''S)-5''-[(2-Furoyloxy)methyl]-2'',5'',8a''-trimethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl 2-furoate

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.236023 Da
  • ChemSpider ID21270302

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2''R,5'R,5''R,6''S,8a''S)-5''-[(2-Furoyloxy)methyl]-2'',5'',8a''-trimethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl 2-furoate [ACD/IUPAC Name]
(2''R,5'R,5''R,6''S,8a''S)-5''-[(2-Furoyloxy)methyl]-2'',5'',8a''-trimethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yl-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, [(2''R,5'R,5''R,6''S,8a''S)-6''-[(2-furanylcarbonyl)oxy]dodecahydro-2'',5'',8''a-trimethyl-5-oxodispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-5''-yl]methyl ester [ACD/Index Name]
2-Furoate de (2''R,5'R,5''R,6''S,8a''S)-5''-[(2-furoyloxy)méthyl]-2'',5'',8a''-triméthyl-5-oxododécahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-6''-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 672.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±0.0 kJ/mol
Flash Point: 360.7±0.0 °C
Index of Refraction: 1.576
Molar Refractivity: 137.4±0.0 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1530.06
ACD/KOC (pH 5.5): 6625.41
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1530.06
ACD/KOC (pH 7.4): 6625.41
Polar Surface Area: 114 Å2
Polarizability: 54.5±0.0 10-24cm3
Surface Tension: 54.4±0.0 dyne/cm
Molar Volume: 415.1±0.0 cm3

Click to predict properties on the Chemicalize site


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