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    9H-Purine, 2,6-diamino-9-beta-D-ribofuranosyl- (8CI)

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    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
    1 2D Structure

    2D Structure

    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