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  • [Synonyms]
    Galactobiose
    Swietenose
    Galalpha1-4Gal
    6-O-Galactopyranosylgalactose
    6-O-beta-D-Galactopyranosyl-D-galactose
    D-Galactose, 6-O-beta-D-galactopyranosyl-
    117250-00-7
    5077-31-6

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight342.29648 [g/mol]
    Molecular FormulaC12H22O11
    XLogP-4.9
    H-Bond Donor8
    H-Bond Acceptor11
    Rotatable Bond Count8
    Tautomer Count10
    Exact Mass342.116212
    MonoIsotopic Mass342.116212
    Topological Polar Surface Area197
    Heavy Atom Count23
    Formal Charge0
    Complexity367
    Isotope Atom Count0
    Defined Atom StereoCenter Count8
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-[(3R,4S,5R,6R)-3,4,
    5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
    Canonical SMILES: C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O
    Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)
    O)O)O)O)O
    InChI: InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6
    (2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8-,9-,10-,11+,12u/m0/s1



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