Cas no 148565-58-6 (Dodecyl b-D-thiomaltopyranoside)

Dodecyl b-D-thiomaltopyranoside structure
148565-58-6 structure
Product Name:Dodecyl b-D-thiomaltopyranoside
CAS No:148565-58-6
MF:C24H46O10S
MW:526.681047916412
CID:891085
PubChem ID:11627845
Update Time:2025-04-19

Dodecyl b-D-thiomaltopyranoside Chemical and Physical Properties

Names and Identifiers

    • N-DODECYL-B-D-THIOMALTOPYRANOSIDE, ANAGRADE?
    • DODECYL B-D-THIOMALTOPYRANOSIDE
    • Dodecyl β-D-thiomaltopyranoside
    • n-Dodecyl beta-D-thiomaltopyranoside
    • Dodecyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
    • n-Dodecyl-b-D-thiomaltoside
    • n-Dodecyl-β-D-ThioMaltopyranoside
    • 1-S-Dodecyl beta-D-thiomaltopyranoside
    • beta-D-Glucopyranoside, dodecyl 4-O-alpha-D-glucopyranosyl-1-thio-
    • Dodecyl beta-D-thiomaltopyranoside
    • 148565-58-6
    • DTXSID301197267
    • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-(DODECYLSULFANYL)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
    • (2R,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6S)-6-(Dodecylthio)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • n-Dodecyl b-D-thiomaltoside
    • Dodecyl 4-O-I+/--D-glucopyranosyl-1-thio-I(2)-D-glucopyranoside
    • n-Dodecyl-
    • (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • A-D-Thiomaltopyranoside
    • Dodecyl-I(2)-D-thiomaltopyranoside
    • Dodecylb-D-thiomaltopyranoside
    • Dodecyl b-D-thiomaltopyranoside
    • MDL: MFCD09750644
    • Inchi: 1S/C24H46O10S/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
    • InChI Key: ONZZYJQRGFMDCX-ALYNCGSASA-N
    • SMILES: S(CCCCCCCCCCCC)[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: 526.28100
  • Monoisotopic Mass: 526.28116883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 16
  • Complexity: 558
  • 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: 2.2
  • Topological Polar Surface Area: 195?2

Experimental Properties

  • Density: 1.30±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.03 g/l) (25 o C),
  • PSA: 194.60000
  • LogP: 0.26460

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