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    CAS 379270-35-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 379270-35-6, 6f4v6f8msr, [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid, Phenyl hydrogen ((r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy)methylphosphonate, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, monophenylester, Phenyl ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate
    Molecular Formula
    C15H18N5O4P
    Molecular Weight
    363.31  g/mol
    InChI Key
    ITAMCOCNZJPJDF-LLVKDONJSA-N
    FDA UNII
    6F4V6F8MSR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid
    2.1.2 InChI
    InChI=1S/C15H18N5O4P/c1-11(7-20-9-19-13-14(16)17-8-18-15(13)20)23-10-25(21,22)24-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)(H2,16,17,18)/t11-/m1/s1
    2.1.3 InChI Key
    ITAMCOCNZJPJDF-LLVKDONJSA-N
    2.1.4 Canonical SMILES
    CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    6F4V6F8MSR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 379270-35-6

    2. 6f4v6f8msr

    3. [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic Acid

    4. Phenyl Hydrogen ((r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy)methylphosphonate

    5. [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Monophenylester

    6. Phenyl ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

    7. Tqp0857

    8. Phosphonic Acid, (((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, Monophenyl Ester

    9. Phosphonic Acid, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Monophenyl Ester

    10. Unii-6f4v6f8msr

    11. Schembl13155602

    12. Schembl19370730

    13. Dtxsid701120985

    14. Amy11132

    15. Mfcd28386144

    16. Akos030528681

    17. Zinc202529174

    18. Cs-w004381

    19. Tenofovir Monophenyl Ester Impurity

    20. Ec 807-851-4

    21. H11583

    22. Phenyl Hydrogen [(r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy]methyl Phosphonate

    23. Phenyl Hydrogen((r)-1-(6-amino-9h-purin-9-yl)propan-2-yloxy)methylphosphonate

    24. Phenylhydrogen((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

    25. Phosphonic Acid, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Monophenyl Ester (9ci)

    2.4 Create Date
    2012-08-20
    3 Chemical and Physical Properties
    Molecular Weight 363.31 g/mol
    Molecular Formula C15H18N5O4P
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass363.10964107 g/mol
    Monoisotopic Mass363.10964107 g/mol
    Topological Polar Surface Area125 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity479
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1