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2D Structure
Also known as: Fosmicin, 26016-98-8, Calcium phosphomycin, Phosphomycin calcium, Calcium fosfomycin, Fosfomycin (calcium)
Molecular Formula
C3H5CaO4P
Molecular Weight
176.12  g/mol
InChI Key
YMZJBJPWTXJQMR-LJUKVTEVSA-L
FDA UNII
76EIK6888N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;[(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-5-phosphane
2.1.2 InChI
InChI=1S/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1
2.1.3 InChI Key
YMZJBJPWTXJQMR-LJUKVTEVSA-L
2.1.4 Canonical SMILES
CC1C(O1)P(=O)([O-])[O-].[Ca+2]
2.1.5 Isomeric SMILES
C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
76EIK6888N
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Fosmicin

2. 26016-98-8

3. Calcium Phosphomycin

4. Phosphomycin Calcium

5. Calcium Fosfomycin

6. Fosfomycin (calcium)

7. Phosphomycin Calcium Salt

8. Chebi:79400

9. 26472-47-9

10. 76eik6888n

11. Phosphonic Acid, [(2r,3s)-3-methyloxiranyl]-, Calcium Salt (1:1)

12. Calcium Phosphonomycin

13. Nsc-758170

14. Einecs 247-408-7

15. Fosfomycin Calcium [jan]

16. Calcium Hydrogen (2r-cis)-(3-methyloxiranyl)phosphonate

17. Unii-76eik6888n

18. Ncgc00094949-01

19. Fosfocin (tn)

20. Phosphonomycin Calcium

21. Fosfomycin Calciu

22. Phosphonic Acid, (3-methyloxiranyl)-, Calcium Salt (1:1), (2r-cis)-

23. Dsstox_cid_25873

24. Dsstox_rid_81191

25. Dsstox_gsid_45873

26. Schembl1649374

27. Chembl3188549

28. Dtxsid1045873

29. Fosfomycin Calciumfor Culture Media

30. Fosfomycin Calcium [who-dd]

31. Hy-b1075

32. Tox21_111366

33. Mfcd13185145

34. Akos015895510

35. Phosphonic Acid, (1,2-epoxypropyl)-, Calcium Salt (1:1), (1r,2s)-(-)-

36. Cs-4631

37. Nsc 758170

38. Fosfomycin Calcium Hydrate [jan]

39. Fosfomycin Calcium [ep Monograph]

40. Fosfomycin Calcium Salt Monohydrate

41. Cas-26016-98-8

42. D07995

43. Fosfomycin Calcium Salt Monohydrate [mi]

44. A818138

45. W-107206

46. Q27148435

47. Phosphonic Acid, (2r,3s)-3-methyloxiranyl-, Calcium Salt

48. Monocalcium (-)-(1r,2s)-(1,2-epoxypropyl)phosphonate

49. Calcium;[(2r,3s)-3-methyloxiran-2-yl]-dioxido-oxo-?^{5}-phosphane

50. Calcium;[(2r,3s)-3-methyloxiran-2-yl]-dioxido-oxo-lambda5-phosphane

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 176.12 g/mol
Molecular Formula C3H5CaO4P
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass175.9551365 g/mol
Monoisotopic Mass175.9551365 g/mol
Topological Polar Surface Area75.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2