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Also known as: 2096-10-8, 2-amine adenosine, Adenosine, 2-amino-, 2-amino adenosine, 2,6-diaminonebularine, 2,6-diaminopurinosine
Molecular Formula
C10H14N6O4
Molecular Weight
282.26  g/mol
InChI Key
ZDTFMPXQUSBYRL-UUOKFMHZSA-N
FDA UNII
CCF94TM2UR

CAS 2096-10-8
1 2D Structure

CAS 2096-10-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
2.1.2 InChI
InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
2.1.3 InChI Key
ZDTFMPXQUSBYRL-UUOKFMHZSA-N
2.1.4 Canonical SMILES
C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)N)N
2.1.5 Isomeric SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)N
2.2 Other Identifiers
2.2.1 UNII
CCF94TM2UR
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,6-diaminopurine Ribonucleoside

2. 2,6-diaminopurine Riboside

2.3.2 Depositor-Supplied Synonyms

1. 2096-10-8

2. 2-amine Adenosine

3. Adenosine, 2-amino-

4. 2-amino Adenosine

5. 2,6-diaminonebularine

6. 2,6-diaminopurinosine

7. Chebi:1014

8. 2,6-diaminopurine Riboside

9. Ccf94tm2ur

10. Chembl255442

11. (2r,3r,4s,5r)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

12. 2,6-diamino-9-(beta-d-ribofuranosyl)purine

13. 2,6-diaminopurine Ribonucleoside

14. Mfcd00053556

15. Nsc-7363

16. 9h-purine, 2,6-diamino-9-.beta.-d-ribofuranosyl-

17. Unii-ccf94tm2ur

18. Schembl114917

19. 9-beta-ribosyl-2,6-diaminopurine

20. Dtxsid001346570

21. Nsc 7363

22. Zinc4095498

23. Bdbm50472936

24. Akos015854657

25. Akos015896895

26. Ac-8213

27. Cs-w012264

28. (2r,3r,4s,5r)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

29. As-12174

30. Ai3-51951

31. Db-005183

32. 2,6-diamino-(9-beta-d-ribofuranosyl)purine

33. 2,6-diamino-9-(beta-d-ribofuranosyl) Purine

34. 2,5-methano-2h-indeno[1,2-b]oxirene(9ci)

35. C00939

36. 9h-purine-2,6-diamine, 9-..-d-ribofuranosyl-

37. 9h-purine, 2,6-diamino-9-beta-d-ribofuranosyl-

38. 9h-purine-2,6-diamine, 9-beta-d-ribofuranosyl-

39. 2,6-diamino-9-.beta.-d-ribofuranosylpurine

40. Q27105391

41. (2r,3r,4s,5r)-2-(2,6-diamino-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 282.26 g/mol
Molecular Formula C10H14N6O4
XLogP3-1.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass282.10765295 g/mol
Monoisotopic Mass282.10765295 g/mol
Topological Polar Surface Area166 Ų
Heavy Atom Count20
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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