Cas no 26652-12-0 (b-D-Glucopyranoside,4-hydroxy-2-(hydroxymethyl)phenyl)

b-D-Glucopyranoside,4-hydroxy-2-(hydroxymethyl)phenyl structure
26652-12-0 structure
Product Name:b-D-Glucopyranoside,4-hydroxy-2-(hydroxymethyl)phenyl
CAS No:26652-12-0
MF:C13H18O8
MW:302.277225017548
CID:265274
PubChem ID:16681676
Update Time:2025-10-29

b-D-Glucopyranoside,4-hydroxy-2-(hydroxymethyl)phenyl Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,4-hydroxy-2-(hydroxymethyl)phenyl
    • Salirepin
    • 4-Hydroxy-2-(hydroxymethyl)phenyl β-D-glucopyranoside
    • <4-Hydroxy-2,6-dimethoxy-phenyl>-aceton
    • 1-Methyl-4-benzoyl-4-piperidinol
    • 1-Methyl-4-hydroxy-4-piperidyl-phenylketon
    • [ "" ]
    • CHEMBL468146
    • AKOS032962326
    • FS-9690
    • CS-0016721
    • 26652-12-0
    • HY-N1317
    • (2S,3R,4S,5S,6R)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • CHEBI:139241
    • DA-67385
    • (2S,3R,4S,5S,6R)-2-(4-hydroxy-2-(hydroxymethyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • Inchi: 1S/C13H18O8/c14-4-6-3-7(16)1-2-8(6)20-13-12(19)11(18)10(17)9(5-15)21-13/h1-3,9-19H,4-5H2/t9-,10-,11+,12-,13-/m1/s1
    • InChI Key: NPNFZOGKIFFKGT-UJPOAAIJSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC(=CC=1CO)O

Computed Properties

  • Exact Mass: 302.10000
  • Monoisotopic Mass: 302.10016753g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 327
  • 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: -1.6
  • Topological Polar Surface Area: 140?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 633.2±55.0 °C at 760 mmHg
  • Flash Point: 336.8±31.5 °C
  • PSA: 139.84000
  • LogP: -1.93680
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

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