Cas no 967-27-1 (2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,4R)-)

2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,4R)- structure
967-27-1 structure
Product Name:2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,4R)-
CAS No:967-27-1
MF:C15H14O6
MW:290.268064975739
CID:814747
PubChem ID:164762
Update Time:2025-04-19

2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,4R)- Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,4R)-
    • (+)-MOLLISACACIDIN
    • (+-)-2r-(3,4-Dihydroxy-phenyl)-chroman-3t,4c,7-triol
    • (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
    • (2R,3S,4R)-2-(3,4-dihydroxyphenyl)chromane-3,4,7-triol
    • (2rH)-Flavan-3c,4t,7,3',4'-pentaol,(+-)-Mollisacacidin
    • 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7-triol
    • DTXSID50914385
    • LMPK12020179
    • 2H-1-Benzopyran-3,4,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-(2alpha,3beta,4alpha))-
    • J-500987
    • Q6534062
    • Leuco-fisetinidin
    • Fisetinidol-4alpha-ol
    • Mollisacacidin
    • 967-27-1
    • (2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7-triol
    • Oprea1_313830
    • CHEBI:196286
    • (2R-(2alpha,3beta,4alpha))-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7-triol
    • (2R,3S,4R)-2-(3,4-dihydroxyphenyl)chroman-3,4,7-triol
    • (2R,3S,4R)-2-(3,4-dihydroxy-phenyl)chroman-3,4,7-triol
    • SCHEMBL9161330
    • Inchi： 1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14+,15-/m1/s1
    • InChI Key： OFZBQQUVMQGHDJ-QLFBSQMISA-N
    • SMILES： O1C2C=C(C=CC=2[C@H]([C@@H]([C@H]1C1C=CC(=C(C=1)O)O)O)O)O

Computed Properties

  • Exact Mass: 290.07900
  • Monoisotopic Mass: 290.07903816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 364
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 110.38000
  • LogP: 1.33140

2H-1-Benzopyran-3,4,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S,4R)- Customs Data

  • HS CODE：2932999099
  • Customs Data：

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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