ChemSpider 2D Image | (2R,2'S,3S)-5,5',7,7'-Tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione | C31H24O10

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

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID9853184

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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(2R,2'S,3S)-5,5',7,7'-Tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,2'S,3S)-5,5',7,7'-Tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2R,2'S,3S)-5,5',7,7'-Tétrahydroxy-2-(4-hydroxyphényl)-2'-(4-méthoxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,8'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2'-(4-methoxyphenyl)-, (2R,2'S,3S)- [ACD/Index Name]
ent-naringeninyl-(I-3a,II-8)-4'-O-methylnaringenin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 866.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 289.2±27.8 °C
Index of Refraction: 1.711
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 6976.13
ACD/KOC (pH 5.5): 19133.53
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 372.94
ACD/KOC (pH 7.4): 1022.88
Polar Surface Area: 163 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 75.3±3.0 dyne/cm
Molar Volume: 366.9±3.0 cm3

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