ChemSpider 2D Image | 5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-{[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione (non-prefer red name) | C36H32O16

5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-{[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione (non-prefer red name)

  • Molecular FormulaC36H32O16
  • Average mass720.630 Da
  • Monoisotopic mass720.169006 Da
  • ChemSpider ID25061335

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-{[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion (non-preferre d name) [German] [ACD/IUPAC Name]
5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphenyl)-7'-{[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione (non-prefer red name) [ACD/IUPAC Name]
5,5',7-Trihydroxy-2,2'-bis(4-hydroxyphényl)-7'-{[(2R,3R,4S,5S,6R)-2,3,4,5-tétrahydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2,2',3,3'-tétrahydro-4H,4'H-3,8'-bichromène-4,4'-dione (non-prefer red name) [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1082.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.3±3.0 kJ/mol
Flash Point: 343.4±27.8 °C
Index of Refraction: 1.754
Molar Refractivity: 174.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 99.64
ACD/KOC (pH 5.5): 924.68
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 12.20
ACD/KOC (pH 7.4): 113.19
Polar Surface Area: 273 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 100.0±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


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