ChemSpider 2D Image | (2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,4H-3,8'-bichromen-4-one | C30H22O9

(2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,4H-3,8'-bichromen-4-one

  • Molecular FormulaC30H22O9
  • Average mass526.490 Da
  • Monoisotopic mass526.126404 Da
  • ChemSpider ID26358120

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,4H-3,8'-bichromen-4-on [German] [ACD/IUPAC Name]
(2'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3',4'-dihydro-2'H,4H-3,8'-bichromen-4-one [ACD/IUPAC Name]
(2'S)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-hydroxyphényl)-3',4'-dihydro-2'H,4H-3,8'-bichromén-4-one [French] [ACD/IUPAC Name]
[3,8'-Bi-4H-1-benzopyran]-4-one, 2',3'-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2'S)- [ACD/Index Name]
3-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 881.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 298.2±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2356.32
ACD/KOC (pH 5.5): 8466.24
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 89.77
ACD/KOC (pH 7.4): 322.55
Polar Surface Area: 157 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 85.7±3.0 dyne/cm
Molar Volume: 334.1±3.0 cm3

Click to predict properties on the Chemicalize site


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