ChemSpider 2D Image | Kolaflavanone | C31H24O12

Kolaflavanone

  • Molecular FormulaC31H24O12
  • Average mass588.515 Da
  • Monoisotopic mass588.126770 Da
  • ChemSpider ID136697

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2S,2'R,3R,3'R)-3',5,5',7,7'-Pentahydroxy-2'-(3-hydroxy-4-méthoxyphényl)-2-(4-hydroxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,8'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
(3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)-
[3,8'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 3',5,5',7,7'-pentahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)- [ACD/Index Name]
68705-66-8 [RN]
Kolaflavanone
(2R,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
(2R,3R)-8-[(2S,3R)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL]-3,5,7-TRIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE
(2R,3R)-8-[(2S,3R)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-CHROMAN-3-YL]-3,5,7-TRIHYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)CHROMAN-4-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

VY4E467596 [DBID]
C09761 [DBID]
UNII:VY4E467596 [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: 942.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 312.8±27.8 °C
Index of Refraction: 1.746
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 615.09
ACD/KOC (pH 5.5): 3345.68
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 25.59
ACD/KOC (pH 7.4): 139.17
Polar Surface Area: 203 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 88.4±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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