Cas no 20274-94-6 (.beta.-D-Glucopyranoside, 4-methylphenyl)

.beta.-D-Glucopyranoside, 4-methylphenyl structure
20274-94-6 structure
Product Name:.beta.-D-Glucopyranoside, 4-methylphenyl
CAS No:20274-94-6
MF:C13H18O6
MW:270.278424739838
CID:909444
PubChem ID:88447
Update Time:2025-04-19

.beta.-D-Glucopyranoside, 4-methylphenyl Chemical and Physical Properties

Names and Identifiers

    • .beta.-D-Glucopyranoside, 4-methylphenyl
    • 4-Methylphenyl β-D-glucopyranoside
    • p-Tolyl-beta-glucoside
    • Glucopyranoside, 1-p-tolyl-, beta-D-
    • 20274-94-6
    • 4-Methylphenyl-beta-D-glucopyranoside
    • DTXSID40942394
    • beta-D-Glucopyranoside, 4-methylphenyl-
    • 4-Methylphenyl hexopyranoside
    • 4-Methylphenyl beta-D-glucopyranoside
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
    • SCHEMBL5027843
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenoxy)tetrahydropyran-3,4,5-triol
    • MVLBSNPILSLTFZ-UJPOAAIJSA-N
    • Inchi: 1S/C13H18O6/c1-7-2-4-8(5-3-7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
    • InChI Key: MVLBSNPILSLTFZ-UJPOAAIJSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 270.11
  • Monoisotopic Mass: 270.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 278
  • 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: 0.5
  • Topological Polar Surface Area: 99.4?2

Experimental Properties

  • Density: 1.401
  • Boiling Point: 493.7°C at 760 mmHg
  • Flash Point: 252.4°C
  • Refractive Index: 1.609
  • PSA: 99.38000
  • LogP: -0.82630
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