Cas no 425680-98-4 (8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen)

8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen structure
425680-98-4 structure
Product Name:8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen
CAS No:425680-98-4
MF:C17H16O10
MW:380.302946090698
CID:836715
PubChem ID:44575337
Update Time:2025-04-19

8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen Chemical and Physical Properties

Names and Identifiers

    • 8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen
    • 8-HYDROXY-5-O-BETA-DGLUCOPYRANOSYLPSORALEN
    • 9-Hydroxy-7-oxo-7H-furo[3,2-g]chromen-4-yl β-D-glucopyranoside
    • 4-(beta-D-Glucopyranosyloxy)-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
    • 8-Hydroxybergaptol 5-O-glucoside
    • 9-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
    • 425680-98-4
    • HY-N2775
    • CHEMBL481655
    • AKOS032962210
    • 8-Hydroxy-5-O-beta-D-glucosylpsoralen
    • FS-9887
    • 4-(-D-Glucopyranosyloxy)-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
    • CS-0023284
    • [ "" ]
    • 9-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
    • Inchi: 1S/C17H16O10/c18-5-8-10(20)11(21)12(22)17(25-8)27-14-6-1-2-9(19)26-16(6)13(23)15-7(14)3-4-24-15/h1-4,8,10-12,17-18,20-23H,5H2
    • InChI Key: SZLNHCJQIHSOJX-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C(C1CO)O)O)O)OC1=C2C=CC(=O)OC2=C(C2=C1C=CO2)O

Computed Properties

  • Exact Mass: 380.07400
  • Monoisotopic Mass: 380.07434670g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 596
  • 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: 159?2
  • XLogP3: -0.2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 754.2±60.0 °C at 760 mmHg
  • Flash Point: 409.9±32.9 °C
  • PSA: 162.96000
  • LogP: -0.57650
  • Vapor Pressure: 0.0±2.7 mmHg at 25°C

8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen Security Information

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