ChemSpider 2D Image | [(3aR,4aR,10aS,10bS)-6,8-Dihydroxy-2-oxo-3,3a,4a,10a-tetrahydro-2H-furo[2',3':4,5]furo[3,2-b]chromen-10b(5H)-yl]acetic acid | C15H14O8

[(3aR,4aR,10aS,10bS)-6,8-Dihydroxy-2-oxo-3,3a,4a,10a-tetrahydro-2H-furo[2',3':4,5]furo[3,2-b]chromen-10b(5H)-yl]acetic acid

  • Molecular FormulaC15H14O8
  • Average mass322.267 Da
  • Monoisotopic mass322.068878 Da
  • ChemSpider ID24659331

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aR,4aR,10aS,10bS)-6,8-Dihydroxy-2-oxo-3,3a,4a,10a-tetrahydro-2H-furo[2',3':4,5]furo[3,2-b]chromen-10b(5H)-yl]acetic acid [ACD/IUPAC Name]
[(3aR,4aR,10aS,10bS)-6,8-Dihydroxy-2-oxo-3,3a,4a,10a-tetrahydro-2H-furo[2',3':4,5]furo[3,2-b]chromen-10b(5H)-yl]essigsäure [German] [ACD/IUPAC Name]
2H-Furo[2',3':4,5]furo[3,2-b][1]benzopyran-10b(5H)-acetic acid, 3,3a,4a,10a-tetrahydro-6,8-dihydroxy-2-oxo-, (3aR,4aR,10aS,10bS)- [ACD/Index Name]
Acide [(3aR,4aR,10aS,10bS)-6,8-dihydroxy-2-oxo-3,3a,4a,10a-tétrahydro-2H-furo[2',3':4,5]furo[3,2-b]chromén-10b(5H)-yl]acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 718.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 274.6±26.4 °C
Index of Refraction: 1.652
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

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