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    Chemistry

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    Also known as: 7790-76-3, Calcium diphosphate, Dicalcium pyrophosphate, Calciumpyrophosphate, 10086-45-0, Dicalcium;phosphonato phosphate
    Molecular Formula
    Ca2O7P2
    Molecular Weight
    254.10  g/mol
    InChI Key
    JUNWLZAGQLJVLR-UHFFFAOYSA-J
    FDA UNII
    X69NU20D19
    Calcium Pyrophosphate
    An inorganic pyrophosphate which affects calcium metabolism in mammals. Abnormalities in its metabolism occur in some human diseases, notably HYPOPHOSPHATASIA and pseudogout (CHONDROCALCINOSIS).
    1 2D Structure

    Calcium Pyrophosphate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dicalcium;phosphonato phosphate
    2.1.2 InChI
    InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
    2.1.3 InChI Key
    JUNWLZAGQLJVLR-UHFFFAOYSA-J
    2.1.4 Canonical SMILES
    [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    X69NU20D19
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Calcium Diphosphate

    2. Calcium Pyrophosphate (1:1)

    3. Calcium Pyrophosphate (1:2)

    4. Calcium Pyrophosphate (2:1)

    5. Calcium Pyrophosphate Dihydrate

    6. Calcium Pyrophosphate, Monohydrate

    7. Diphosphate, Calcium

    8. Monohydrate Calcium Pyrophosphate

    9. Pyrophosphate Dihydrate, Calcium

    10. Pyrophosphate, Calcium

    11. Pyrophosphate, Monohydrate Calcium

    2.3.2 Depositor-Supplied Synonyms

    1. 7790-76-3

    2. Calcium Diphosphate

    3. Dicalcium Pyrophosphate

    4. Calciumpyrophosphate

    5. 10086-45-0

    6. Dicalcium;phosphonato Phosphate

    7. Diphosphoric Acid, Calcium Salt (1:2)

    8. Pyrophosphoric Acid, Calcium Salt (1:2)

    9. 35405-51-7

    10. X69nu20d19

    11. Calcium Phosphono Dihydrogen Phosphate

    12. Calcium Phosphate, Amorphous

    13. 1264298-55-6

    14. Mfcd00015983

    15. Alpha-calcium Pyrophosphate

    16. Unii-x69nu20d19

    17. Calcium Phosphate (ca2p2o7)

    18. Diphosphoric Acid, Calcium Salt

    19. Hsdb 1435

    20. Calcium Pyrophosphate (ca2p2o7)

    21. Einecs 232-221-5

    22. Calcium Phosphate (pyro)

    23. Ca2p2o7

    24. Ec 232-221-5

    25. Chebi:32598

    26. Dtxsid50872512

    27. Calcium Pyrophosphate [ii]

    28. Calcium Pyrophosphate [mi]

    29. Calcium Pyrophosphate [fcc]

    30. Diphosphoric Acid, Dicalcium

    31. Calcium Pyrophosphate [hsdb]

    32. Calcium Pyrophosphate [inci]

    33. Dicalcium (phosphonatooxy)phosphonate

    34. Calcium Pyrophosphate (99.95%-ca)

    35. Akos015902785

    36. Calcium Pyrophosphate [who-dd]

    37. Diphosphoric Acid,calcium Salt (2:1)

    38. Calcium Pyrophosphate, Tetrabasic (form I)

    39. Calcium Pyrophosphate, Tetrabasic (form Ii)

    40. Db-023014

    41. Ft-0727361

    42. Q4363460

    43. Dicalcium Pyrophosphate, With A Fluorine Content Of Less Than 0,005 % By Weight On The Dry Anhydrous Product

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 254.10 g/mol
    Molecular Formula Ca2O7P2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count0
    Exact Mass253.8371080 g/mol
    Monoisotopic Mass253.8371080 g/mol
    Topological Polar Surface Area136 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity124
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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