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Overview of CAS 35109-88-7

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(4S,2R,3R,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PharmaCompass
  • Chemistry
(4S,2R,3R,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also known as: 35109-88-7, Adenosine, 2-iodo-, 2-iodo adenosine, Mgebvszznfoirb-uuokfmhzsa-n, Ak-96431, (2r,3r,4s,5r)-2-(6-amino-2-iodo-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Formula
C10H12IN5O4
Molecular Weight
393.141  g/mol
InChI Key
MGEBVSZZNFOIRB-UUOKFMHZSA-N

1 2D Structure

(4S,2R,3R,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4S,5R)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
2.1.2 InChI
InChI=1S/C10H12IN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
2.1.3 InChI Key
MGEBVSZZNFOIRB-UUOKFMHZSA-N
2.1.4 Canonical SMILES
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)I
2.1.5 Isomeric SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N=C2N)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 35109-88-7

2. Adenosine, 2-iodo-

3. 2-iodo Adenosine

4. Mgebvszznfoirb-uuokfmhzsa-n

5. Ak-96431

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

7. (2r,3r,4s,5r)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

8. Mfcd01320413

9. 2-iodo-guanosine

10. Pubchem23060

11. 2-iodoadenosine, 97%

12. Ac1q4pl6

13. Ksc225q0n

14. Schembl259445

15. Chembl2113519

16. C10h12in5o4

17. Ctk1c5806

18. Ks-00000jba

19. Dtxsid70188607

20. Molport-003-938-534

21. 2-i-a

22. Ac1l5463

23. Zinc5163085

24. 4316ab

25. Anw-28070

26. Akos015853969

27. Akos015919384

28. Cs-w008552

29. Ac-13964

30. Aj-53435

31. Bc206955

32. Cj-12491

33. Ds-18553

34. Sc-43801

35. Ax8020378

36. Kb-231022

37. Tr-030598

38. Ft-0612659

39. I0759

40. St24040719

41. St51056056

42. 6-amino-2-iodo-9-(beta-d-ribofuranosyl)purine

43. (4s,2r,3r,5r)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxy-methyl)oxolane-3,4-diol

44. (4s,2r,3r,5r)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 393.141 g/mol
Molecular Formula C10H12IN5O4
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass392.993 g/mol
Monoisotopic Mass392.993 g/mol
Topological Polar Surface Area140 A^2
Heavy Atom Count20
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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