ChemSpider 2D Image | Vitisin B | C56H42O12

Vitisin B

  • Molecular FormulaC56H42O12
  • Average mass906.925 Da
  • Monoisotopic mass906.267639 Da
  • ChemSpider ID17290428
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

5-[(2R,3R)-4-{(E)-2-[(2R,2'R,3R,3'R)-3'-(3,5-Dihydroxyphényl)-4'-hydroxy-2,2'-bis(4-hydroxyphényl)-2,2',3,3'-tétrahydro-3,6'-bi-1-benzofuran-5-yl]vinyl}-6-hydroxy-2-(4-hydroxyphényl)-2,3-dihydro-1-ben zofuran-3-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-[(2R,3R)-4-{(E)-2-[(2R,2'R,3R,3'R)-3'-(3,5-Dihydroxyphenyl)-4'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,6'-bi-1-benzofuran-5-yl]vinyl}-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-ben zofuran-3-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
Vitisin B [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.786
Molar Refractivity: 254.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 180087.53
ACD/KOC (pH 5.5): 200984.28
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 178747.58
ACD/KOC (pH 7.4): 199488.86
Polar Surface Area: 210 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 84.2±3.0 dyne/cm
Molar Volume: 604.0±3.0 cm3

Click to predict properties on the Chemicalize site





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