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

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    Guadecitabine

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as:
    Molecular Formula
    C18H24N9O10P
    Molecular Weight
    557.4  g/mol
    InChI Key
    GUWXKKAWLCENJA-WGWHJZDNSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
    2.1.2 InChI
    InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1
    2.1.3 InChI Key
    GUWXKKAWLCENJA-WGWHJZDNSA-N
    2.1.4 Canonical SMILES
    C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OC4CC(OC4CO)N5C=NC(=NC5=O)N)O
    2.1.5 Isomeric SMILES
    C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC(=NC5=O)N)O
    2.2 Create Date
    2013-07-08
    3 Chemical and Physical Properties
    Molecular Weight 557.4 g/mol
    Molecular Formula C18H24N9O10P
    XLogP3-4.1
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count8
    Exact Mass557.13837499 g/mol
    Monoisotopic Mass557.13837499 g/mol
    Topological Polar Surface Area271 A^2
    Heavy Atom Count38
    Formal Charge0
    Complexity1110
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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