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Home > Encyclopedia > 3,4,5-Tri-O-galloylquinic acid

3,4,5-Tri-O-galloylquinic acid

3,4,5-Tri-O-galloylquinic acid structure

3,4,5-Tri-O-galloylquinic acid 

structure
  • CAS No:

    99745-62-7

  • Formula:

    C28H24O18

  • Chemical Name:

    3,4,5-Tri-O-galloylquinic acid

  • Synonyms:

    Benzoic acid,3,4,5-trihydroxy-,(1R,2α,3R,5α)-5-carboxy-5-hydroxy-1,2,3-cyclohexanetriyl ester,rel-;Benzoic acid,3,4,5-trihydroxy-,5-carboxy-5-hydroxy-1,2,3-cyclohexanetriyl ester,(1α,2α,3β,5α)-;3,4,5-Tri-O-galloylquinic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3,4,5-Tri-O-galloylquinic acid Basic Attributes

648.5 g/mol

648.48

692283

Characteristics

319 Ų

Drug Information

3,4,5-tri-O-galloylquinic acid

Computed Properties

Molecular Weight:648.5
XLogP3:1.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:648.09626391
Monoisotopic Mass:648.09626391
Topological Polar Surface Area:319
Heavy Atom Count:46
Complexity:1040
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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