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

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    Bemnifosbuvir

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    2D Structure
    1. Also known as: Schembl18061556
    Molecular Formula
    C24H33FN7O7P
    Molecular Weight
    581.5  g/mol
    InChI Key
    OISLSHLAXHALQZ-ZXWZJMKMSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl (2S)-2-[[[(3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
    2.1.2 InChI
    InChI=1S/C24H33FN7O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32/h6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30)/t14-,16?,18+,22+,24+,40-/m0/s1
    2.1.3 InChI Key
    OISLSHLAXHALQZ-ZXWZJMKMSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)OC(C)C)N[P@](=O)(OCC1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl18061556

    2.3 Create Date
    2016-12-08
    3 Chemical and Physical Properties
    Molecular Weight 581.5 g/mol
    Molecular Formula C24H33FN7O7P
    XLogP31.7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count12
    Exact Mass581.21631158 g/mol
    Monoisotopic Mass581.21631158 g/mol
    Topological Polar Surface Area185 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity919
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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