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    Technical details about Tenofovir Alafenamide, learn more about the structure, uses, toxicity, action, side effects and more

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    Tenofovir Alafenamide

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    Also known as: Schembl16402708
    Molecular Formula
    C21H29N6O5P
    Molecular Weight
    476.5  g/mol
    InChI Key
    LDEKQSIMHVQZJK-LYTUVDLCSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl (2S)-2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-phenoxyphosphoryl]amino]propanoate
    2.1.2 InChI
    InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15?,16-,33+/m0/s1
    2.1.3 InChI Key
    LDEKQSIMHVQZJK-LYTUVDLCSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)OC(C)C)N[P@@](=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl16402708

    2.3 Create Date
    2013-04-19
    3 Chemical and Physical Properties
    Molecular Weight 476.5 g/mol
    Molecular Formula C21H29N6O5P
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count12
    Exact Mass476.19370504 g/mol
    Monoisotopic Mass476.19370504 g/mol
    Topological Polar Surface Area144 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity680
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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