ChemSpider 2D Image | (4alpha->8)-bis-4'-O-methylgallocatechin | C32H30O14

(4α->8)-bis-4'-O-methylgallocatechin

  • Molecular FormulaC32H30O14
  • Average mass638.572 Da
  • Monoisotopic mass638.163574 Da
  • ChemSpider ID26633502

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,5-dihydroxy-4-methoxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromen-3,3',5,5',7,7'-hexol [German] [ACD/IUPAC Name]
(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,5-dihydroxy-4-methoxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol [ACD/IUPAC Name]
(2R,2'R,3S,3'S,4S)-2,2'-Bis(3,5-dihydroxy-4-méthoxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,8'-bichromène-3,3',5,5',7,7'-hexol [French] [ACD/IUPAC Name]
(4α->8)-bis-4'-O-methylgallocatechin
[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,5-dihydroxy-4-methoxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3S,3'S,4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 903.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 499.9±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.95
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 39.11
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.60
Polar Surface Area: 239 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 387.1±3.0 cm3

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