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    Hydroxy Propyl Methyl Cellulose

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    2D Structure
    Also known as: Hpmc, Hydroxy propyl methyl cellulose, (hydroxypropyl)methyl cellulose
    Molecular Formula
    C56H108O30
    Molecular Weight
    1261.4  g/mol
    InChI Key
    PUSNGFYSTWMJSK-GSZQVNRLSA-N
    Polymeric compounds that contain repeating units of hydroxypropyl methylcellulose. The properties of hypromellose polymers can vary greatly and are defined by their molecular weight, the percentage of hydroxyl groups, the percentage of hydroxypropyl groups, and viscosity measurements. They are found a broad variety of commercial products such as FOOD ADDITIVES; EXCIPIENTS; and LUBRICANTS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S,5R,6R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane;1-[[(2R,3R,4S,5R,6S)-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.C20H38O11/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;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h19-44H,9-18H2,1-8H3;11-20H,9-10H2,1-8H3/t19?,20?,21?,22?,23?,24?,25?,26?,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+;11-,12-,13-,14-,15+,16+,17-,18-,19-,20+/m11/s1
    2.1.3 InChI Key
    PUSNGFYSTWMJSK-GSZQVNRLSA-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.COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
    2.1.5 Isomeric SMILES
    CC(COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O.COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)OC)COC)OC)OC)OC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Derivative, Hypromellose

    2. Derivatives, Hypromellose

    3. Hpmc 2910

    4. Hpmc K 100 M

    5. Hpmc-k-100 M

    6. Hpmck100 M

    7. Hydroxypropyl Methylcellulose

    8. Hypromellose

    9. Hypromellose Derivative

    10. Hypromellose Derivatives

    11. K 8515

    12. K-8515

    13. K8515

    14. Methocel E

    15. Methoxyhydroxypropylcellulose

    16. Methyl Hydroxypropyl Cellulose

    17. Methyl-hydroxypropyl-cellulose

    18. Mhpc Polymer

    2.2.2 Depositor-Supplied Synonyms

    1. Hpmc

    2. Hydroxy Propyl Methyl Cellulose

    3. (hydroxypropyl)methyl Cellulose

    2.3 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 1261.4 g/mol
    Molecular Formula C56H108O30
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count30
    Rotatable Bond Count40
    Exact Mass1260.69254202 g/mol
    Monoisotopic Mass1260.69254202 g/mol
    Topological Polar Surface Area365 Ų
    Heavy Atom Count86
    Formal Charge0
    Complexity1480
    Isotope Atom Count0
    Defined Atom Stereocenter Count20
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2