Cas no 76947-60-9 (Onitin 2'-O-glucoside)

Onitin 2'-O-glucoside structure
Onitin 2'-O-glucoside structure
Product Name:Onitin 2'-O-glucoside
CAS No:76947-60-9
MF:C21H30O8
MW:410.458107471466
CID:837307
PubChem ID:124222319
Update Time:2025-04-19

Onitin 2'-O-glucoside Chemical and Physical Properties

Names and Identifiers

    • Onitin 2'-O-glucoside
    • Onitin 2\'-O-glucoside
    • [ "" ]
    • Onitin 2/'-O-glucoside
    • 76947-60-9
    • 4-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
    • 6-[2-(beta-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-4-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one
    • 4-hydroxy-2,2,5,7-tetramethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
    • Inchi: 1S/C21H30O8/c1-9-11(10(2)15(23)12-7-21(3,4)19(27)14(9)12)5-6-28-20-18(26)17(25)16(24)13(8-22)29-20/h13,16-18,20,22-26H,5-8H2,1-4H3
    • InChI Key: IXDYXCFZRYXQBB-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C(C1CO)O)O)O)OCCC1C(C)=C(C2=C(C=1C)C(C(C)(C)C2)=O)O

Computed Properties

  • Exact Mass: 410.19406791g/mol
  • Monoisotopic Mass: 410.19406791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 595
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 137?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 657.5±55.0 °C at 760 mmHg
  • Flash Point: 228.9±25.0 °C
  • Vapor Pressure: 0.0±2.1 mmHg at 25°C

Onitin 2'-O-glucoside Security Information

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