ChemSpider 2D Image | (3aS,5aR,8R,8aS,9S,10aS)-8,9-Dihydroxy-9-(2-methyl-2-propanyl)dihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione | C15H18O8

(3aS,5aR,8R,8aS,9S,10aS)-8,9-Dihydroxy-9-(2-methyl-2-propanyl)dihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione

  • Molecular FormulaC15H18O8
  • Average mass326.299 Da
  • Monoisotopic mass326.100159 Da
  • ChemSpider ID32697073

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3aS,5aR,8R,8aS,9S,10aS)-8,9-Dihydroxy-9-(2-methyl-2-propanyl)dihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trion [German] [ACD/IUPAC Name]
(3aS,5aR,8R,8aS,9S,10aS)-8,9-Dihydroxy-9-(2-methyl-2-propanyl)dihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione [ACD/IUPAC Name]
(3aS,5aR,8R,8aS,9S,10aS)-8,9-Dihydroxy-9-(2-méthyl-2-propanyl)dihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furane-2,4,7(3H,8H)-trione [French] [ACD/IUPAC Name]
4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9S,10aS)- [ACD/Index Name]
(-)-Bilobalide
33570-04-6 [RN]
BILOBALIDE [Wiki]
MFCD00238547 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 651.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.0±6.0 kJ/mol
    Flash Point: 247.5±25.0 °C
    Index of Refraction: 1.606
    Molar Refractivity: 71.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.45
    ACD/LogD (pH 5.5): -0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.95
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.95
    Polar Surface Area: 119 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 69.6±5.0 dyne/cm
    Molar Volume: 208.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement