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2D Structure
Also known as: 7758-23-8, Monocalcium phosphate, Calcium dihydrogen phosphate, Calcium dihydrogen orthophosphate, Monobasic calcium phosphate, Acid calcium phosphate
Molecular Formula
CaH4O8P2
Molecular Weight
234.05  g/mol
InChI Key
YYRMJZQKEFZXMX-UHFFFAOYSA-L
FDA UNII
701EKV9RMN

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;dihydrogen phosphate
2.1.2 InChI
InChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
2.1.3 InChI Key
YYRMJZQKEFZXMX-UHFFFAOYSA-L
2.1.4 Canonical SMILES
OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
701EKV9RMN
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Acid Calcium Phosphate

2. Calcium Bisphosphate

3. Calcium Phosphate, Monobasic

4. Calcium Superphosphate

5. Monocalcium Orthophosphate

2.3.2 Depositor-Supplied Synonyms

1. 7758-23-8

2. Monocalcium Phosphate

3. Calcium Dihydrogen Phosphate

4. Calcium Dihydrogen Orthophosphate

5. Monobasic Calcium Phosphate

6. Acid Calcium Phosphate

7. Monocalcium Orthophosphate

8. Calcium Dihydrogenphosphate

9. Primary Calcium Phosphate

10. Monocalcium Phosphate, Monobasic

11. Calcium Monobasic Phosphate

12. Calcium Bis(dihydrogen Phosphate)

13. Calcium Phosphate (1:2)

14. Calcium Phosphate, Monobasic

15. Phosphoric Acid, Calcium Salt (2:1)

16. Calcium;dihydrogen Phosphate

17. 701ekv9rmn

18. Calcium Phosphate Monobasic Anhydrous

19. Calcium Phosphate, Monobasic, Anhydrous

20. C 38 (phosphate)

21. Calcium Diorthophosphate

22. Calcium Tetrahydrogen Phosphate

23. Calcium Bis(dihydrogenphosphate)

24. Hsdb 1441

25. Calcium Tetrahydrogen Orthophosphate

26. Calcium Dihydrogenphoshate

27. Calcium Bis(dihydrogenorthophosphate)

28. Einecs 231-837-1

29. Unii-701ekv9rmn

30. V 90

31. Calcium Hydrogen Phosphate (ca(h2po4)2)

32. Calcium Bisphosphate

33. Calciumphosphatemonobasic&n

34. Dihydromonocalcium Phosphate

35. Ec 231-837-1

36. Ca(h2po4)2

37. Dtxsid2044262

38. Ins No.341(i)

39. Chebi:35433

40. Ins-341(i)

41. Akos015902863

42. Calcium Bis(dihydrogenorthophosphate), With A Fluorine Content Of Less Than 0,005 % By Weight On The Dry Anhydrous Product

43. Calcium Phosphate, Monobasic [mi]

44. E-341(i)

45. Calcium Dihydrogen Phosphate [inci]

46. Calcium Dihydrogen Tetraoxophosphate

47. Calcium Phosphate Monobasic [who-dd]

48. Ft-0623378

49. Monobasic Calcium Phosphate, Anhydrous

50. Calcium Bis(dihydrogen Phosphate) [hsdb]

51. Q414673

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 234.05 g/mol
Molecular Formula CaH4O8P2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass233.9007319 g/mol
Monoisotopic Mass233.9007319 g/mol
Topological Polar Surface Area161 Ų
Heavy Atom Count11
Formal Charge0
Complexity49.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 Absorption, Distribution and Excretion

/Ortho/ phosphate is absorbed from, and to a limited extent secreted into, the gastrointestinal tract. The transport of phosphate from the lumen of the gut is an active, energy-dependent process, and there are factors that appear to modify the degree of its intestinal absorption. ... Vitamin D stimulates phosphate absorption, and this effect has been reported to precede the action of the vitamin on transport of calcium ion. In general, in adults, about two thirds of the ingested phosphate is absorbed from the bowel, and that which is absorbed from the gut is almost entirely excreted into the urine. In growing children, there is a positive balance of phosphate. Concentrations of phosphate in plasma are higher in children than in adults. This "hyperphosphatemia" decreases the affinity of hemoglobin for oxygen and is hypothesized to explain the physiological "anemia" of childhood. /Phosphates/

Gilman, A.G., T.W. Rall, A.S. Nies and P. Taylor (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 8th ed. New York, NY. Pergamon Press, 1990., p. 1501


4.2 Metabolism/Metabolites

A defect in phosphate metabolism occurs in a variety of diseases. ... Osteoporosis ... Rickets ... Osteomalacia ... Osteitis Fibrosa Cystica ... Secondary Hyperparathyroidism ... Hypoparathyroidism ... . /Phosphates/

Gilman, A.G., T.W. Rall, A.S. Nies and P. Taylor (eds.). Goodman and Gilman's The Pharmacological Basis of Therapeutics. 8th ed. New York, NY. Pergamon Press, 1990., p. 1503