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    Epilactose

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 50468-56-9, Epilactose [ii], Galbeta-1-4-man, Epilactose [usp-rs], 3515bnp809, (2s,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
    Molecular Formula
    C12H22O11
    Molecular Weight
    342.30  g/mol
    InChI Key
    DKXNBNKWCZZMJT-QMRWEYQWSA-N
    FDA UNII
    3515BNP809
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
    2.1.2 InChI
    InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5-,6-,7-,8+,9+,10-,11-,12+/m1/s1
    2.1.3 InChI Key
    DKXNBNKWCZZMJT-QMRWEYQWSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    3515BNP809
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-o-beta-d-galactopyranosyl-d-mannose

    2. Galbeta-1-4-man

    2.3.2 Depositor-Supplied Synonyms

    1. 50468-56-9

    2. Epilactose [ii]

    3. Galbeta-1-4-man

    4. Epilactose [usp-rs]

    5. 3515bnp809

    6. (2s,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

    7. 4-o-beta-d-galactopyranosyl-d-mannose

    8. (2s,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)hexanal

    9. Epi-lactose

    10. Lactulose Impurity A [ep]

    11. Schembl4731603

    12. Unii-3515bnp809

    13. Akos015961675

    14. Ac-14466

    15. D-mannose, 4-o-beta-d-galactopyranosyl-

    16. Lactulose Impurity A [ep Impurity]

    17. 4-o-.beta.-d-galactopyranosyl-d-mannose

    18. Q27256407

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 342.30 g/mol
    Molecular Formula C12H22O11
    XLogP3-5
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count8
    Exact Mass342.11621151 g/mol
    Monoisotopic Mass342.11621151 g/mol
    Topological Polar Surface Area197 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity367
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1