Cas no 131623-13-7 (Bergaptol-beta-glucopyranoside)

Bergaptol-beta-glucopyranoside structure
131623-13-7 structure
Product Name:Bergaptol-beta-glucopyranoside
CAS No:131623-13-7
MF:C17H16O9
MW:364.303545951843
CID:185865
PubChem ID:125494
Update Time:2025-04-19

Bergaptol-beta-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • 7H-Furo[3,2-g][1]benzopyran-7-one,4-(b-D-glucopyranosyloxy)-
    • 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
    • bergaptol-O-glucopyranoside
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(beta-D-glucopyranosyloxy)-
    • 7-oxo-7H-furo[3,2-g]chromen-4-yl beta-D-glucopyranoside
    • Bergaptol-O-beta-D-glucopyranoside
    • CS-0159389
    • 131623-13-7
    • Bergaptol-?O-?Glucopyranoside
    • Bergaptol O-??-D-glucopyranoside
    • AKOS040763460
    • HY-N9322
    • Bergaptol O-beta-D-glucopyranoside
    • A-D-glucopyranoside
    • FS-8288
    • Bergaptol-beta-glucopyranoside
    • DTXSID00157149
    • Bergaptol O-
    • 4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyfuro(3,2-g)chromen-7-one
    • DTXCID9079640
    • 4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}FURO[3,2-G]CHROMEN-7-ONE
    • DA-61611
    • Inchi: 1S/C17H16O9/c18-6-11-13(20)14(21)15(22)17(25-11)26-16-7-1-2-12(19)24-10(7)5-9-8(16)3-4-23-9/h1-5,11,13-15,17-18,20-22H,6H2/t11-,13-,14+,15-,17+/m1/s1
    • InChI Key: CVAHFYWRHVOEBA-AQFIFQLPSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1=C2C=CC(=O)OC2=CC2=C1C=CO2

Computed Properties

  • Exact Mass: 364.07938
  • Monoisotopic Mass: 364.079432
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 566
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 139
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.647
  • Boiling Point: 690.1°Cat760mmHg
  • Flash Point: 371.2°C
  • Refractive Index: 1.701
  • PSA: 138.82

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