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

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    Diquafosol Sodium

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as:
    Molecular Formula
    C18H22N4Na4O23P4
    Molecular Weight
    878.2  g/mol
    InChI Key
    OWTGMPPCCUSXIP-FNXFGIETSA-J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tetrasodium;[[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
    2.1.2 InChI
    InChI=1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1
    2.1.3 InChI Key
    OWTGMPPCCUSXIP-FNXFGIETSA-J
    2.1.4 Canonical SMILES
    C1=CN(C(=O)N=C1[O-])C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)OP(=O)([O-])OCC3C(C(C(O3)N4C=CC(=NC4=O)[O-])O)O)O)O.[Na+].[Na+].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    C1=CN(C(=O)N=C1[O-])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)[O-])O)O)O)O.[Na+].[Na+].[Na+].[Na+]
    2.2 Create Date
    2015-12-18
    3 Chemical and Physical Properties
    Molecular Weight 878.2 g/mol
    Molecular Formula C18H22N4Na4O23P4
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count23
    Rotatable Bond Count14
    Exact Mass877.9216081 g/mol
    Monoisotopic Mass877.9216081 g/mol
    Topological Polar Surface Area412 Ų
    Heavy Atom Count53
    Formal Charge0
    Complexity1500
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
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