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Kobophenol A

Kobophenol A structure

CAS No:
124027-58-3
Formula:
C56H44O13
Chemical Name:
Kobophenol A
Synonyms:
[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)-;[3,4′-Bibenzofuran]-6,6′-diol,3′-(3,5-dihydroxyphenyl)-4-[4-(3,5-dihydroxyphenyl)tetrahydro-2,5-bis(4-hydroxyphenyl)-3-furanyl]-2,2′,3,3′-tetrahydro-2,2′-bis(4-hydroxyphenyl)-,[2S-[2α,3α[2R*,3R*(2′S*,3′S*)],4α,5β]]-;(2S,2′R,3S,3′R)-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)[3,4′-bibenzofuran]-6,6′-diol;Kobophenol A
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Kobophenol A Basic Attributes

Molecular Weight：

924.9 g/mol

Exact Mass：

924.94

DSSTox ID：

DTXSID00333128

Characteristics

PSA：

230 Å²

Melting Point：

233.5-235 °C (decomp)

Drug Information

MeSH Entry Terms：

kobophenol A

Computed Properties

Molecular Weight:924.9
XLogP3:8.8
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:924.27819145
Monoisotopic Mass:924.27819145
Topological Polar Surface Area:230
Heavy Atom Count:69
Complexity:1640
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes