ChemSpider 2D Image | (3aS,5aR,8R,9R,10aS)-9-tert-Butyl-8,9-dihydroxydihydro-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,9R,10aS)-9-tert-Butyl-8,9-dihydroxydihydro-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 ID21106418
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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(3aS,5aR,8R,9R,10aS)-9-tert-Butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione
(3aS,5aR,9R,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,9R,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,9R,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,9R,10aS)-
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,9R,10aS)- [ACD/Index Name]
(3aS,5aR,8aS)-9R-(1,1-dimethylethyl)-10,10aS-dihydro-8R,9-dihydroxy-4H,5aH,9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione
33570-04-6 [RN]
MFCD00238547 [MDL number]

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

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

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