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CAS 132-00-3
PharmaCompass
  • Chemistry
CAS 132-00-3
Also known as: Amp sodium salt, Naamp, Sodium amp, 5'-amp sodium salt, Unii-el2b9qaq0b, Sodium adenosine-5'-monophosphate
Molecular Formula
C10H13N5NaO7P
Molecular Weight
369.206  g/mol
InChI Key
FYWLYWMEGHCZAX-MCDZGGTQSA-M
FDA UNII
EL2B9QAQ0B

1 2D Structure

CAS 132-00-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
2.1.2 InChI
InChI=1S/C10H14N5O7P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
2.1.3 InChI Key
FYWLYWMEGHCZAX-MCDZGGTQSA-M
2.1.4 Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)[O-])O)O.[Na+]
2.1.5 Isomeric SMILES
C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)[O-])O)O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
EL2B9QAQ0B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Amp Sodium Salt

2. Naamp

3. Sodium Amp

4. 5'-amp Sodium Salt

5. Unii-el2b9qaq0b

6. Sodium Adenosine-5'-monophosphate

7. Adenosine 5'-monophosphate Sodium Salt

8. 13474-03-8

9. 5'-adenylic Acid, Sodium Salt

10. Adenosine 5'-(dihydrogen Phosphate), Sodium Salt

11. 132-00-3

12. Monosodium Amp

13. 5'-adenylic Acid Sodium Salt

14. Adenosine-5'-monophosphate Sodium Salt

15. Unii-rs300u3xl1

16. Sodium Adenosine Monophosphate

17. 5'-adenylic Acid, Monosodium Salt

18. Monosodium Adenosine 5'-monophosphate

19. 5'-adenylic Acid, Sodium Salt (1:1)

20. Sodium [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl Hydrogen Phosphate

21. Adenosine-5'-monophosphate Disodium Salt

22. El2b9qaq0b

23. C10h13n5nao7p

24. Schembl1416760

25. Chembl1627080

26. Molport-019-991-538

27. Akos025286012

28. Ls-15203

29. Adenosine-5'-monophosphate Monosodium Salt

30. Bg00708100

31. St24045922

32. A806836

33. Sodium [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl Hydrogen Phosphate

34. Sodium [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl Hydrogen Phosphate

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 369.206 g/mol
Molecular Formula C10H13N5NaO7P
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass369.045 g/mol
Monoisotopic Mass369.045 g/mol
Topological Polar Surface Area189 A^2
Heavy Atom Count24
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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