ChemSpider 2D Image | (3aR,3bR,9aS,10aR)-6,8-Dihydroxy-10a-methyl-3a,10a-dihydro-3bH-furo[3',2':4,5]furo[3,2-b]chromene-2,9(3H,9aH)-dione | C14H12O7

(3aR,3bR,9aS,10aR)-6,8-Dihydroxy-10a-methyl-3a,10a-dihydro-3bH-furo[3',2':4,5]furo[3,2-b]chromene-2,9(3H,9aH)-dione

  • Molecular FormulaC14H12O7
  • Average mass292.241 Da
  • Monoisotopic mass292.058289 Da
  • ChemSpider ID62787020

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,3bR,9aS,10aR)-6,8-Dihydroxy-10a-methyl-3a,10a-dihydro-3bH-furo[3',2':4,5]furo[3,2-b]chromen-2,9(3H,9aH)-dion [German] [ACD/IUPAC Name]
(3aR,3bR,9aS,10aR)-6,8-Dihydroxy-10a-methyl-3a,10a-dihydro-3bH-furo[3',2':4,5]furo[3,2-b]chromene-2,9(3H,9aH)-dione [ACD/IUPAC Name]
(3aR,3bR,9aS,10aR)-6,8-Dihydroxy-10a-méthyl-3a,10a-dihydro-3bH-furo[3',2':4,5]furo[3,2-b]chromène-2,9(3H,9aH)-dione [French] [ACD/IUPAC Name]
9H-Furo[3',2':4,5]furo[3,2-b][1]benzopyran-2,9(3H)-dione, 3a,3b,9a,10a-tetrahydro-6,8-dihydroxy-10a-methyl-, (3aR,3bR,9aS,10aR)- [ACD/Index Name]
(1S,10R,11R,15R)-4,6-Dihydroxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-triene-2,13-dione
1346137-02-7 [RN]
Planchol E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 237.7±25.0 °C
Index of Refraction: 1.648
Molar Refractivity: 66.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 133.08
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 23.77
Polar Surface Area: 102 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 69.0±3.0 dyne/cm
Molar Volume: 182.5±3.0 cm3

Click to predict properties on the Chemicalize site


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