ChemSpider 2D Image | (2S,2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3',4a,8a-hexahydro-4H,4'H-6,6'-bichromene-4,4'-dione | C30H24O10

(2S,2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3',4a,8a-hexahydro-4H,4'H-6,6'-bichromene-4,4'-dione

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID409868

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3',4a,8a-hexahydro-4H,4'H-6,6'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3',4a,8a-hexahydro-4H,4'H-6,6'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'S)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-hydroxyphényl)-2,2',3,3',4a,8a-hexahydro-4H,4'H-6,6'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[6,6'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 4a,8a-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S)- [ACD/Index Name]
(2S)-6-[(2S)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-2,3,4A,8A-TETRAHYDROCHROMEN-6-YL]-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMAN-4-ONE
(6,6'-Bi-4H-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S)-
[6,6'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S)-
57291-00-6 [RN]
Succedaneaflavanone

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

AIDS046003 [DBID]
AIDS-046003 [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: 913.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 306.8±27.8 °C
Index of Refraction: 1.746
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1493.03
ACD/KOC (pH 5.5): 6485.31
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 704.85
ACD/KOC (pH 7.4): 3061.67
Polar Surface Area: 174 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 87.0±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

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