ChemSpider 2D Image | (2S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione | C30H20O10

(2S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione

  • Molecular FormulaC30H20O10
  • Average mass540.474 Da
  • Monoisotopic mass540.105652 Da
  • ChemSpider ID4586938

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,3R)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-hydroxyphényl)-2,3-dihydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,3-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,3R)- [ACD/Index Name]
27542-37-6 [RN]
8-[(2S,3R)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-CHROMAN-3-YL]-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMEN-4-ONE

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

AIDS046005 [DBID]
AIDS-046005 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 880.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 297.3±27.8 °C
Index of Refraction: 1.771
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 835.54
ACD/KOC (pH 5.5): 3808.99
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 5.64
ACD/KOC (pH 7.4): 25.72
Polar Surface Area: 174 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 89.6±3.0 dyne/cm
Molar Volume: 332.6±3.0 cm3

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