Cas no 129522-81-2 (1-O-n-Octyl-d17-β-D-glucopyranoside)

1-O-n-Octyl-d17-β-D-glucopyranoside structure
129522-81-2 structure
Product Name:1-O-n-Octyl-d17-β-D-glucopyranoside
CAS No:129522-81-2
MF:C14H28O6
MW:309.473274230957
CID:137944
PubChem ID:102601516
Update Time:2025-04-19

1-O-n-Octyl-d17-β-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside,octyl-d17 (9CI)
    • 1-O-Octyl-D17-β-D-glucopyranoside
    • 1-O-OCTYL-D17-BETA-D-GLUCOPYRANOSIDE
    • n-Octyl-d17-β-D-Glucopyranoside
    • (2R,3R,4S,5S,6R)-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • HY-116285S1
    • CS-0566645
    • beta-D-Glucopyranoside, octyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d17
    • A-D-glucopyranoside-d17
    • 129522-81-2
    • F91212
    • 1-O-n-Octyl-
    • b-D-Glucopyranoside,octyl-d17(9ci)
    • (2R,3S,4S,5R,6R)-2-(HYDROXYMETHYL)-6-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-(2)H??)OCTYLOXY]OXANE-3,4,5-TRIOL
    • DA-69571
    • 1-O-n-Octyl-beta-D-glucopyranoside-d17
    • 1-O-n-Octyl-d17-β-D-glucopyranoside
    • Inchi: 1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
    • InChI Key: HEGSGKPQLMEBJL-LNYSLXKBSA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 309.29529329g/mol
  • Monoisotopic Mass: 309.29529329g/mol
  • Isotope Atom Count: 17
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 9
  • Complexity: 250
  • 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: 1.4
  • Topological Polar Surface Area: 99.4?2

1-O-n-Octyl-d17-β-D-glucopyranoside Pricemore >>

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