Fosfomycin Calcium Hydrate

Synopsis, Chemistry

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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

Fosfomycin Calcium Hydrate

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 Formula	C₃H₅CaO₄P
Molecular Weight	176.12 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	175.9551365 g/mol
Monoisotopic Mass	175.9551365 g/mol
Topological Polar Surface Area	75.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2