ChemSpider 2D Image | (2S,2'S,3R,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione | C32H26O10

(2S,2'S,3R,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione

  • Molecular FormulaC32H26O10
  • Average mass570.543 Da
  • Monoisotopic mass570.152588 Da
  • ChemSpider ID20576758

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,2'S,3R,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'S,3R,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'S,3R,3'S)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-méthoxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,3'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,3'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-, (2S,2'S,3R,3'S)- [ACD/Index Name]
(2S)-3-[(2S,3S)-5,7-dihydroxy-4-keto-2-(4-methoxyphenyl)chroman-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chroman-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 873.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 289.0±27.8 °C
Index of Refraction: 1.681
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24044.50
ACD/KOC (pH 5.5): 46985.59
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 3000.64
ACD/KOC (pH 7.4): 5863.58
Polar Surface Area: 152 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 391.3±3.0 cm3

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