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    Cellulose

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 9004-34-6, (6s)-2-(hydroxymethyl)-6-[(3s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol, Diethylaminoethyl cellulose, Cellulose, 2-(diethylamino)ethyl ether, Cellulosepulver, Deae-sephacel(r)
    Molecular Formula
    C12H22O11
    Molecular Weight
    342.30  g/mol
    InChI Key
    GUBGYTABKSRVRQ-WFVLMXAXSA-N
    A polysaccharide with glucose units linked as in CELLOBIOSE. It is the chief constituent of plant fibers, cotton being the purest natural form of the substance. As a raw material, it forms the basis for many derivatives used in chromatography, ion exchange materials, explosives manufacturing, and pharmaceutical preparations.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
    2.1.3 InChI Key
    GUBGYTABKSRVRQ-WFVLMXAXSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C(C1[C@H](C(C(C(O1)O)O)O)O[C@H]2C(C(C(C(O2)CO)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acid, Polyanhydroglucuronic

    2. Alpha Cellulose

    3. Alpha-cellulose

    4. Alphacel

    5. Avicel

    6. Cellulose

    7. Heweten

    8. Polyanhydroglucuronic Acid

    9. Rayophane

    10. Sulfite Cellulose

    2.2.2 Depositor-Supplied Synonyms

    1. 9004-34-6

    2. (6s)-2-(hydroxymethyl)-6-[(3s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

    3. Diethylaminoethyl Cellulose

    4. Cellulose, 2-(diethylamino)ethyl Ether

    5. Cellulosepulver

    6. Deae-sephacel(r)

    7. Diethylaminoethyl-sephacel(r)

    8. Chebi:156274

    9. Akos015895024

    10. Express-ion(tm) Exchanger?? D Free Base, 60-130 Mum

    11. (5s)-6-(hydroxymethyl)-5-{[(2s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol

    12. Diethylaminoethyl-sephacel(r), Aqueous Ethanol Suspension, 40-160 Mum (wet), Exclusion Limit ~1,000,000 Da

    2.3 Create Date
    2007-07-12
    3 Chemical and Physical Properties
    Molecular Weight 342.30 g/mol
    Molecular Formula C12H22O11
    XLogP3-4.7
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass342.11621151 g/mol
    Monoisotopic Mass342.11621151 g/mol
    Topological Polar Surface Area190 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity382
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1