CAS 132-00-3

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Also known as: 13474-03-8, Monosodium amp, Adenosine phosphate monosodium, 5'-adenylic acid sodium salt, 5'-adenylic acid, monosodium salt, El2b9qaq0b

Molecular Formula

C₁₀H₁₃N₅NaO₇P

Molecular Weight

369.20 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=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)[O-])O)O)N.[Na+]

2.1.5 Isomeric SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)[O-])O)O)N.[Na+]

2.2 Other Identifiers

2.2.1 UNII

EL2B9QAQ0B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 13474-03-8

2. Monosodium Amp

3. Adenosine Phosphate Monosodium

4. 5'-adenylic Acid Sodium Salt

5. 5'-adenylic Acid, Monosodium Salt

6. El2b9qaq0b

7. Monosodium Adenosine 5'-monophosphate

8. 5'-adenylic Acid, Sodium Salt (1:1)

9. Amp Sodium Salt

10. Sodium Amp

11. 132-00-3

12. Naamp

13. Sodium ((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl Hydrogenphosphate

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

15. Sodium Adenosine-5'-monophosphate

16. Adenosine-5'-monophosphate Disodium Salt

17. Unii-el2b9qaq0b

18. Unii-rs300u3xl1

19. Sodium Adenosine Monophosphate

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

21. 149022-20-8

22. Rs300u3xl1

23. Schembl1416760

24. Monosodium 5'-adenylate

25. Chembl1627080

26. Dtxsid40928739

27. Mfcd08689634

28. Akos025286012

29. Adenosine-5'-monophosphate Monosodium Salt

30. Adenosine5/'-monophosphatesodiumsalt

31. Adenosine5\'-monophosphatesodiumsalt

32. A51040

33. A806836

34. Q27277220

35. Sodium 9-[5-o-(hydroxyphosphinato)pentofuranosyl]-9h-purin-6-amine

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

37. 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 Formula	C₁₀H₁₃N₅NaO₇P
Molecular Weight	369.20 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	369.04502905 g/mol
Monoisotopic Mass	369.04502905 g/mol
Topological Polar Surface Area	189 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	493
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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