ChemSpider 2D Image | Vitisin C | C56H42O12

Vitisin C

  • Molecular FormulaC56H42O12
  • Average mass906.925 Da
  • Monoisotopic mass906.267639 Da
  • ChemSpider ID17301998

  • 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

(+)-Vitisin C
1,3-Benzenediol, 5-[(2R,2'S,3S,3'S)-5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2',3,3'-tetrahydro-6'-hydroxy-2,2'-bis(4-hydroxyphenyl )[3,4'-bibenzofuran]-3'-yl]- [ACD/Index Name]
180580-73-8 [RN]
5-[(2S,3S)-4-{(E)-2-[(2R,2'S,3S,3'S)-3'-(3,5-Dihydroxyphenyl)-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-5-yl]vinyl}-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-ben zofuran-3-yl]-1,3-benzenediol [ACD/IUPAC Name]
5-[(2S,3S)-4-{(E)-2-[(2R,2'S,3S,3'S)-3'-(3,5-Dihydroxyphényl)-6'-hydroxy-2,2'-bis(4-hydroxyphényl)-2,2',3,3'-tétrahydro-3,4'-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-[(2S,3S)-4-{(E)-2-[(2R,2'S,3S,3'S)-3'-(3,5-Dihydroxyphenyl)-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-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 C [Wiki]
5-[(2S,3S)-4-{(E)-2-[(2R,2'S,3S,3'S)-3'-(3,5-Dihydroxyphenyl)-6'-hydroxy-2,2'-bis(4-hydroxyphenyl)[2,2',3,3'-tetrahydro[3,4'-bi-1-benzofuran]]-5-yl]ethenyl}-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

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

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: 7.44
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 187602.72
ACD/KOC (pH 5.5): 206952.77
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 186209.31
ACD/KOC (pH 7.4): 205415.64
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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