Cas no 148616-91-5 (Octyl b-D-Thiomaltopyranoside)

Octyl b-D-Thiomaltopyranoside structure
Octyl b-D-Thiomaltopyranoside structure
Product Name:Octyl b-D-Thiomaltopyranoside
CAS No:148616-91-5
MF:C20H38O10S
MW:470.574726581573
CID:891088
PubChem ID:11684240
Update Time:2025-09-24

Octyl b-D-Thiomaltopyranoside Chemical and Physical Properties

Names and Identifiers

    • Octyl-β-D-thiomaltopyranoside
    • OCTYL B-D-THIOMALTOPYRANOSIDE
    • Octyl β-D-1-thiomaltoside
    • (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-octylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • OCTYL THIOMALTOSIDE
    • Octyl β-D-1-thiomaltopyranoside
    • Octyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
    • DTXSID70470574
    • 148616-91-5
    • E80235
    • HY-W250181
    • n-Octyl b-D-thiomaltoside
    • OCTYL BETA-D-1-THIOMALTOPYRANOSIDE
    • OCTYL BETA-D-THIOMALTOPYRANOSIDE
    • beta-D-Glucopyranoside, octyl 4-O-alpha-D-glucopyranosyl-1-thio-
    • OCTYLBETA-D-THIOMALTOPYRANOSIDE
    • Octyl beta-D-1-thiomaltoside, >=99.0% (TLC)
    • CS-0256372
    • Octyl-beta-D-thiomaltopyranoside
    • Octyl 4-O-a-D-glucopyranosyl-1-thio-b-D-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-(OCTYLSULFANYL)OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
    • Octylb-D-thiomaltopyranoside
    • Octyl b-D-Thiomaltopyranoside
    • MDL: MFCD09750647
    • Inchi: 1S/C20H38O10S/c1-2-3-4-5-6-7-8-31-20-17(27)15(25)18(12(10-22)29-20)30-19-16(26)14(24)13(23)11(9-21)28-19/h11-27H,2-10H2,1H3/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m1/s1
    • InChI Key: JHBBNAKIOKQRJS-NQXZFOFXSA-N
    • SMILES: S(CCCCCCCC)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O

Computed Properties

  • Exact Mass: 470.21900
  • Monoisotopic Mass: 470.21856858g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 12
  • Complexity: 501
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 195?2

Experimental Properties

  • Density: 1.38±0.1 g/cm3 (20 oC 760 Torr),
  • PH: 5-8 (1% (w/v) in H2O)
  • Solubility: Very slightly soluble (0.47 g/l) (25 o C),
  • PSA: 194.60000
  • LogP: -1.29580

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