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    Adefovir Diphosphate

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Pmeapp, Adefovir diphosphate, 129532-77-0, Pmea-dp, 9-(meoet)-a-tp, 9-(2-(phosphonomethoxy)ethyl)adenine diphosphate
    Molecular Formula
    C8H14N5O10P3
    Molecular Weight
    433.15  g/mol
    InChI Key
    MELHEUHXJKQZNC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(6-aminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
    2.1.2 InChI
    InChI=1S/C8H14N5O10P3/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-21-5-24(14,15)22-26(19,20)23-25(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H,19,20)(H2,9,10,11)(H2,16,17,18)
    2.1.3 InChI Key
    MELHEUHXJKQZNC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 9-(2-(phosphonomethoxy)ethyl)adenine Diphosphate

    2. Pmeapp

    2.2.2 Depositor-Supplied Synonyms

    1. Pmeapp

    2. Adefovir Diphosphate

    3. 129532-77-0

    4. Pmea-dp

    5. 9-(meoet)-a-tp

    6. 9-(2-(phosphonomethoxy)ethyl)adenine Diphosphate

    7. 2-(6-aminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic Acid

    8. N-(2-diphosphorylphosphonylmethoxyethyl)-adenine

    9. Diphosphoric Acid, Monoanhydride With ((2-(6-amino-9h-purin-9-yl)ethoxy)methyl)phosphonic Acid

    10. Diphosphoric Acid, Monoanhydride With [[2-(6-amino-9h-purin-9-yl)ethoxy]methyl]phosphonic Acid

    11. Pmea-pp

    12. 1pk0

    13. 9-(2-phosphonylmethoxyethyl)adenine Diphosphate

    14. Chembl1162433

    15. Schembl13394184

    16. Dtxsid60156198

    17. Bdbm50479983

    18. Q27459979

    19. [2-(6-amino-9h-purine-9-yl)ethoxy]methylphosphonyldiphosphate

    20. 2-(6-aminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic Acid

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 433.15 g/mol
    Molecular Formula C8H14N5O10P3
    XLogP3-4.2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count9
    Exact Mass432.99535265 g/mol
    Monoisotopic Mass432.99535265 g/mol
    Topological Polar Surface Area229 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity632
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1