ChemSpider 2D Image | Kobophenol A | C56H44O13

Kobophenol A

  • Molecular FormulaC56H44O13
  • Average mass924.941 Da
  • Monoisotopic mass924.278198 Da
  • ChemSpider ID425066
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)tetrahydro-3-furanyl]-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6' -diol [ACD/IUPAC Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)tetrahydro-3-furanyl]-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6' -diol [German] [ACD/IUPAC Name]
(2S,2'R,3S,3'R)-3'-(3,5-Dihydroxyphényl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphényl)-2,5-bis(4-hydroxyphényl)tétrahydro-3-furanyl]-2,2'-bis(4-hydroxyphényl)-2,2',3,3'-tétrahydro-3,4'-bi-1-benzofurane-6,6 '-diol [French] [ACD/IUPAC Name]
(2S,3S,2'R,3'R)-3'-(3,5-Dihydroxy-phenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxy-phenyl)-2,5-bis-(4-hydroxy-phenyl)-tetrahydro-furan-3-yl]-2,2'-bis-(4-hydroxy-phenyl)-2,3,2',3'-tetrahydro-[3,4']bibenzofuranyl-6,6'-diol
[3,4'-Bibenzofuran]-6,6'-diol, 3'-(3,5-dihydroxyphenyl)-4-[(2S,3S,4R,5S)-4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2',3,3'-tetrahydro-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R, 3S,3'R)- [ACD/Index Name]
124027-58-3 [RN]
Kobophenol A [Wiki]
5-[(2S,3R,4S,5S)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol

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

AIDS106438 [DBID]
AIDS-106438 [DBID]

    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: 1.754
    Molar Refractivity: 252.8±0.3 cm3
    #H bond acceptors: 13
    #H bond donors: 10
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 4
    ACD/LogP: 6.59
    ACD/LogD (pH 5.5): 6.62
    ACD/BCF (pH 5.5): 62783.00
    ACD/KOC (pH 5.5): 94533.96
    ACD/LogD (pH 7.4): 6.61
    ACD/BCF (pH 7.4): 62346.86
    ACD/KOC (pH 7.4): 93877.26
    Polar Surface Area: 230 Å2
    Polarizability: 100.2±0.5 10-24cm3
    Surface Tension: 82.8±3.0 dyne/cm
    Molar Volume: 617.8±3.0 cm3

    Click to predict properties on the Chemicalize site






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