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2D Structure
Also known as: 27214-00-2, Calcium 2,3-dihydroxypropyl phosphate, 1336-00-1, Calcium 1-glycerophosphate, 126-95-4, Calcium glycerol phosphate
Molecular Formula
C3H7CaO6P
Molecular Weight
210.14  g/mol
InChI Key
IWIRHXNCFWGFJE-UHFFFAOYSA-L
FDA UNII
Q014U50XQH

Any salt or ester of glycerophosphoric acid.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;2,3-dihydroxypropyl phosphate
2.1.2 InChI
InChI=1S/C3H9O6P.Ca/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
2.1.3 InChI Key
IWIRHXNCFWGFJE-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(C(COP(=O)([O-])[O-])O)O.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
Q014U50XQH
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Glycerolphosphate

2. Glycerolphosphates

3. Glycerophosphate

4. Glycerophosphate, Calcium

5. Glycerophosphates

2.3.2 Depositor-Supplied Synonyms

1. 27214-00-2

2. Calcium 2,3-dihydroxypropyl Phosphate

3. 1336-00-1

4. Calcium 1-glycerophosphate

5. 126-95-4

6. Calcium Glycerol Phosphate

7. Calcium;2,3-dihydroxypropyl Phosphate

8. Q014u50xqh

9. 1,2,3-propanetriol, 1-(dihydrogen Phosphate), Calcium Salt (1:1)

10. 1,2,3-propanetriol, Mono(dihydrogen Phosphate), Calcium Salt (1:1)

11. 28917-82-0

12. Unii-q014u50xqh

13. Calcium Glycerinophosphate

14. 2,3-dihydroxypropyl (dihydrogen Phosphate), Calcium Salt

15. Calcium 2,3-hydroxypropyl Phosphate

16. Einecs 204-813-3

17. Einecs 215-643-4

18. Mfcd00042643

19. Schembl4237

20. Chembl2106124

21. Dtxsid40873179

22. Calcium2,3-dihydroxypropylphosphate

23. Cs-b1784

24. Hy-b2203

25. Einecs 249-312-0

26. Akos015962876

27. Ac-2077

28. Calcium Rac-glyceryl-1-phosphate

29. Ft-0700768

30. Ft-0775133

31. Rac-glycero-1-phosphate, Calcium Salt

32. J-006411

33. J-017324

34. Q27286832

35. 4-amino-alpha-diethylamino-o-cresoldihydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 210.14 g/mol
Molecular Formula C3H7CaO6P
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass209.9606158 g/mol
Monoisotopic Mass209.9606158 g/mol
Topological Polar Surface Area113 Ų
Heavy Atom Count11
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2