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2D Structure
Also known as: 35109-88-7, 2-iodo adenosine, Adenosine, 2-iodo-, (2r,3r,4s,5r)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2r,3r,4s,5r)-2-(6-amino-2-iodo-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 2-iodo-guanosine
Molecular Formula
C10H12IN5O4
Molecular Weight
393.14  g/mol
InChI Key
MGEBVSZZNFOIRB-UUOKFMHZSA-N

1 2D Structure

2D Structure

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(N=C(N=C2N1C3C(C(C(O3)CO)O)O)I)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)I)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 35109-88-7

2. 2-iodo Adenosine

3. Adenosine, 2-iodo-

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

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

6. 2-iodo-guanosine

7. Mfcd01320413

8. 2-iodoadenosine, 97%

9. Schembl259445

10. Chembl2113519

11. Dtxsid70188607

12. 2-i-a

13. Amy31027

14. Zinc5163085

15. Akos015853969

16. Akos015919384

17. Cs-w008552

18. Ac-13964

19. Ds-18553

20. I0759

21. F12897

22. 6-amino-2-iodo-9-(beta-d-ribofuranosyl)purine

23. (4s,2r,3r,5r)-2-(6-amino-2-iodopurin-9-yl)-5-(hydroxy-methyl)oxolane-3,4-diol

24. (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 393.14 g/mol
Molecular Formula C10H12IN5O4
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass392.99340 g/mol
Monoisotopic Mass392.99340 g/mol
Topological Polar Surface Area140 Ų
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