ChemSpider 2D Image | Afzelechin-(4α→8)-afzelchin | C30H26O10

Afzelechin-(4α→8)-afzelchin

  • Molecular FormulaC30H26O10
  • Average mass546.521 Da
  • Monoisotopic mass546.152588 Da
  • ChemSpider ID391029
  • 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(4-hydroxyphenyl)-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(4-hydroxyphenyl)-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(4-hydroxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,8'-bichromène-3,3',5,5',7,7'-hexol [French] [ACD/IUPAC Name]
[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 3,3',4,4'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-, (2R,2'R,3S,3'S,4S)- [ACD/Index Name]
101339-37-1 [RN]
Afzelechin-(4α→8)-afzelchin
Afzelechin-(4α->8)-afzelechin
(2R,2'R,3S,3'S,4S)-2,2'-bis(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol
AFZELECHIN-(4?->8)-AFZELECHIN
AFZELECHIN-(4A->8)-AFZELECHIN
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C10209 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 889.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.6±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.04
ACD/KOC (pH 5.5): 318.46
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.17
ACD/KOC (pH 7.4): 305.81
Polar Surface Area: 180 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 89.4±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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