Cas no 89289-91-8 ((2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl beta-D-glucopyranoside)

(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl beta-D-glucopyranoside structure
89289-91-8 structure
Product Name:(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl beta-D-glucopyranoside
CAS No:89289-91-8
MF:C23H28O10
MW:464.462428092957
CID:1940287
PubChem ID:442352
Update Time:2024-03-01

(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl beta-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • (2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl beta-D-glucopyranoside
    • Diffutin
    • KG8Q5D3TT5
    • (2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside
    • 89289-91-8
    • (2S)-2-(3,4-DIMETHOXYPHENYL)-3,4-DIHYDRO-7-HYDROXY-2H-1-BENZOPYRAN-5-YL .BETA.-D-GLUCOPYRANOSIDE
    • (2S,3R,4S,5S,6R)-2-[[(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • CHEBI:4536
    • beta-D-Glucopyranoside, (2S)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl
    • SCHEMBL4740038
    • Q5275447
    • (2S,3R,4S,5S,6R)-2-[(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-chroman-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-{[(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
    • DTXSID301008743
    • .BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIMETHOXYPHENYL)-3,4-DIHYDRO-7-HYDROXY-2H-1-BENZOPYRAN-5-YL, (S)-
    • AC1L9CNN
    • (2S,3R,4S,5S,6R)-2-(((S)-2-(3,4-Dimethoxyphenyl)-7-hydroxychroman-5-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • SureCN4740038
    • C09636
    • Inchi： 1S/C23H28O10/c1-29-15-5-3-11(7-18(15)30-2)14-6-4-13-16(31-14)8-12(25)9-17(13)32-23-22(28)21(27)20(26)19(10-24)33-23/h3,5,7-9,14,19-28H,4,6,10H2,1-2H3/t14-,19+,20+,21-,22+,23+/m0/s1
    • InChI Key： ZNWIOJJMPZWSQO-YRDUZITASA-N
    • SMILES： O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C1C=C(O)C=C2O[C@H](C3C=CC(OC)=C(OC)C=3)CCC=12

Computed Properties

  • Exact Mass: 464.16824709g/mol
  • Monoisotopic Mass: 464.16824709g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 622
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 147?2

(2S)-2-(3,4-dimethoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl beta-D-glucopyranoside Related Literature

Related Categories

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