Cas no 25162-30-5 (Isohomoarbutin)

Isohomoarbutin structure
Isohomoarbutin structure
Product Name:Isohomoarbutin
CAS No:25162-30-5
MF:C13H18O7
MW:286.277824878693
CID:284014
PubChem ID:5318573
Update Time:2025-09-19

Isohomoarbutin Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,4-hydroxy-2-methylphenyl
    • Isohomoarbutin(7CI,8CI)
    • Isohomoarbutin
    • beta-D-Glucopyranoside, 4-hydroxy-2-methylphenyl
    • (2S,3R,4S,5S,6R)-2-(4-Hydroxy-2-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • (2R, 3S, 4S, 5R, 6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3, 4, 5-triol
    • SCHEMBL4367625
    • AKOS040761890
    • 25162-30-5
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol
    • FS-10663
    • (2S,3R,4S,5S,6R)-2-(4-hydroxy-2-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • Inchi: 1S/C13H18O7/c1-6-4-7(15)2-3-8(6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
    • InChI Key: XHEKEYHCIIMZRR-UJPOAAIJSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC(=CC=1C)O

Computed Properties

  • Exact Mass: 286.10525291g/mol
  • Monoisotopic Mass: 286.10525291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 313
  • 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
  • XLogP3: -0.4
  • Topological Polar Surface Area: 120

Experimental Properties

  • Color/Form: Powder

Isohomoarbutin Security Information

Isohomoarbutin Pricemore >>

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