Cas no 129212-92-6 (4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI))

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI) structure
129212-92-6 structure
Product Name:4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI)
CAS No:129212-92-6
MF:C21H22O12
MW:466.392187595367
CID:202812
PubChem ID:3035567
Update Time:2025-04-19

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI)
    • (2S,3S)-(-)-Glucodistylin
    • 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydr...
    • (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-glucopyranoside
    • (2S-trans)-2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)-
    • Taxifolin-3-glucopyranoside
    • Taxifolin-3-O-beta-D-glucopyranoside
    • [ "(2S", "3S)-Taxifolin 3-O-glucoside" ]
    • (2S
    • starbld0000802
    • 129212-92-6
    • Taxifolin-3'-O-beta-D-pyranglucoside
    • AKOS032948806
    • CHEMBL2332679
    • DTXSID40156095
    • (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • 4-(5-Bromopyrimidin-2-yloxy)benzoicacid
    • FS-10287
    • (2R,3R)-Taxifolin 3-glucoside
    • (2S,3S)-Taxifolin 3-glucoside
    • Isoglucodistylin
    • (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
    • Inchi: 1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13-,15-,17+,18-,19+,20-,21+/m1/s1
    • InChI Key: FVQOMEDMFUMIMO-FHVPTPGYSA-N
    • SMILES: O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1C(C2C(=CC(=CC=2O[C@H]1C1C=CC(=C(C=1)O)O)O)O)=O)O)O)O

Computed Properties

  • Exact Mass: 466.111126
  • Monoisotopic Mass: 466.111126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 4
  • Complexity: 692
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 207
  • XLogP3: -0.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.82
  • Boiling Point: 858.4°Cat760mmHg
  • Flash Point: 301.6°C
  • Refractive Index: 1.773
  • PSA: 206.60000
  • LogP: -0.98950
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI) Security Information

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI) Pricemore >>

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4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI) Related Literature

129212-92-6 (4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3-(b-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S-trans)- (9CI)) Related Products

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