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    Hydroxypropyl Cellulose API

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as:
    Molecular Formula
    C36H70O19
    Molecular Weight
    806.9  g/mol
    InChI Key
    DFJVHKAPIXJTSC-VAPIWYFSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[[(2R,3R,4S,5R)-3,4,5-tris(2-hydroxypropoxy)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]propan-2-ol
    2.1.2 InChI
    InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36?/m1/s1
    2.1.3 InChI Key
    DFJVHKAPIXJTSC-VAPIWYFSSA-N
    2.1.4 Canonical SMILES
    CC(COCC1C(C(C(C(O1)OC2C(OC(C(C2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O
    2.1.5 Isomeric SMILES
    CC(COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC(C)O)OCC(C)O)OCC(C)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O
    2.2 Create Date
    2013-05-09
    3 Chemical and Physical Properties
    Molecular Weight 806.9 g/mol
    Molecular Formula C36H70O19
    XLogP3-3
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count28
    Exact Mass806.45113000 g/mol
    Monoisotopic Mass806.45113000 g/mol
    Topological Polar Surface Area263 Ų
    Heavy Atom Count55
    Formal Charge0
    Complexity986
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count9
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1