ChemSpider 2D Image | Biflavanone GB-1a | C30H22O10

Biflavanone GB-1a

  • Molecular FormulaC30H22O10
  • Average mass542.490 Da
  • Monoisotopic mass542.121277 Da
  • ChemSpider ID410994

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,2'S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'S,3R)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-hydroxyphényl)-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-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S,3R)- [ACD/Index Name]
19360-72-6 [RN]
Biflavanone GB-1a
(2S)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
(2S,2'S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bichroman]-4,4'-dione
(2S,2'S,3R)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3,8'-bichroman-4,4'-dione
(3,8'-Bi-2H-1-benzopyran)-4,4'(3H,3'H)-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S,3R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS057025 [DBID]
AIDS-057025 [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: 895.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 301.8±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2863.41
ACD/KOC (pH 5.5): 10121.22
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 157.01
ACD/KOC (pH 7.4): 554.97
Polar Surface Area: 174 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 341.3±3.0 cm3

Click to predict properties on the Chemicalize site


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