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Calcium Pyrophosphate
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

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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