ChemSpider 2D Image | Theasinensin C | C30H26O14

Theasinensin C

  • Molecular FormulaC30H26O14
  • Average mass610.519 Da
  • Monoisotopic mass610.132263 Da
  • ChemSpider ID410678

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[1,1'-Biphenyl]-2,2',3,3',4,4'-hexol, 6,6'-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]- [ACD/Index Name]
6,6'-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2',3,3',4,4'-biphenylhexol [German] [ACD/IUPAC Name]
6,6'-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2',3,3',4,4'-biphenylhexol [ACD/IUPAC Name]
6,6'-Bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl]-2,2',3,3',4,4'-biphénylhexol [French] [ACD/IUPAC Name]
6,6'-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]biphenyl-2,2',3,3',4,4'-hexol
Theasinensin C
Theasinensin E
(2R,3R)-2-(3,4,5-trihydroxy-2-{2,3,4-trihydroxy-6-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}phenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
116348-81-3 [RN]
6,6'-Bis-((2R,3R)-3,5,7-trihydroxy-chroman-2-yl)-biphenyl-2,3,4,2',3',4'-hexaol
More...

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

AIDS051697 [DBID]
AIDS-051697 [DBID]
AIDS051886 [DBID]
AIDS-051886 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1020.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.2±3.0 kJ/mol
Flash Point: 571.2±34.3 °C
Index of Refraction: 1.840
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.89
Polar Surface Area: 261 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 118.7±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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