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    Calcium Lactobionate Dihydrate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: Calcium lactobionate, 110638-68-1, Unii-7d8yva497f, 7d8yva497f, Lactobionic acid, calcium salt (2:1), dihydrate, Calcium;(2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;dihydrate
    Molecular Formula
    C24H46CaO26
    Molecular Weight
    790.7  g/mol
    InChI Key
    FALNADDKNDADFQ-WNSOHMSISA-L
    FDA UNII
    7D8YVA497F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;dihydrate
    2.1.2 InChI
    InChI=1S/2C12H22O12.Ca.2H2O/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;;;/h2*3-10,12-20H,1-2H2,(H,21,22);;2*1H2/q;;+2;;/p-2/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;;;/m11.../s1
    2.1.3 InChI Key
    FALNADDKNDADFQ-WNSOHMSISA-L
    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)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.O.O.[Ca+2]
    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)O.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)O.O.O.[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    7D8YVA497F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Calcium Lactobionate

    2. 110638-68-1

    3. Unii-7d8yva497f

    4. 7d8yva497f

    5. Lactobionic Acid, Calcium Salt (2:1), Dihydrate

    6. Calcium;(2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;dihydrate

    7. Calcium;(2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;hydrate

    8. Calcium Lactobionate [usan:usp]

    9. Calciumlactobionatedihydrate

    10. Calcium Lactobionate (usp)

    11. Dtxsid10911810

    12. Calcium Lactobionate [fcc]

    13. Calcium Lactobionate [mart.]

    14. Mfcd16661223

    15. Calcium Lactobionate [usp-rs]

    16. Calcium Lactobionate [who-dd]

    17. Akos015896797

    18. Calcium Lactobionate (1:2), Dihydrate

    19. Calcium Lactobionate [usp Monograph]

    20. D03296

    21. Calcium Lactobionate (1:2), Dihydrate.

    22. Calcium 4-o-hexopyranosylhexonate--water (1/2/2)

    23. D-gluconic Acid, 4-o-.beta.-d-galactopyranosyl-, Calcium Salt (2:1), Dihydrate

    24. D-gluconic Acid, 4-o-beta-d-galactopyranosyl-, Calcium Salt (2:1), Dihydrate

    25. D-gluconic Acid, 4-o-beta-d-galactopyranosyl-, Calcium Salt (2:1), Dihydrate.

    2.4 Create Date
    2006-11-22
    3 Chemical and Physical Properties
    Molecular Weight 790.7 g/mol
    Molecular Formula C24H46CaO26
    Hydrogen Bond Donor Count18
    Hydrogen Bond Acceptor Count26
    Rotatable Bond Count14
    Exact Mass790.1903224 g/mol
    Monoisotopic Mass790.1903224 g/mol
    Topological Polar Surface Area443 Ų
    Heavy Atom Count51
    Formal Charge0
    Complexity400
    Isotope Atom Count0
    Defined Atom Stereocenter Count18
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5