ChemSpider 2D Image | (5aS,13bR)-1,5a,9,13-Tetrahydroxy-3,7-dimethyl-5,5a-dihydro-4H,10H,12H,16H-benzo[de]benzo[4',5']isochromeno[8a',8':4,5]furo[2,3-g]isochromene-4,10,16-trione | C26H18O10

(5aS,13bR)-1,5a,9,13-Tetrahydroxy-3,7-dimethyl-5,5a-dihydro-4H,10H,12H,16H-benzo[de]benzo[4',5']isochromeno[8a',8':4,5]furo[2,3-g]isochromene-4,10,16-trione

  • Molecular FormulaC26H18O10
  • Average mass490.415 Da
  • Monoisotopic mass490.089996 Da
  • ChemSpider ID128926100

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5aS,13bR)-1,5a,9,13-Tetrahydroxy-3,7-dimethyl-5,5a-dihydro-4H,10H,12H,16H-benzo[de]benzo[4',5']isochromeno[8a',8':4,5]furo[2,3-g]isochromen-4,10,16-trion [German] [ACD/IUPAC Name]
(5aS,13bR)-1,5a,9,13-Tetrahydroxy-3,7-dimethyl-5,5a-dihydro-4H,10H,12H,16H-benzo[de]benzo[4',5']isochromeno[8a',8':4,5]furo[2,3-g]isochromene-4,10,16-trione [ACD/IUPAC Name]
(5aS,13bR)-1,5a,9,13-Tétrahydroxy-3,7-diméthyl-5,5a-dihydro-4H,10H,12H,16H-benzo[de]benzo[4',5']isochroméno[8a',8':4,5]furo[2,3-g]isochromène-4,10,16-trione [French] [ACD/IUPAC Name]
5,5a-Dihydro-1,5a,9,13-tetrahydroxy-3,7-dimethyl-4H,10H,12H,16H-dibenzo[de,d'e']furo[2,3-g
76706-63-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1002.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 348.1±27.8 °C
Index of Refraction: 1.853
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 192.82
ACD/KOC (pH 5.5): 1486.78
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 34.99
ACD/KOC (pH 7.4): 269.81
Polar Surface Area: 160 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 123.3±5.0 dyne/cm
Molar Volume: 265.4±5.0 cm3

Click to predict properties on the Chemicalize site


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