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    Chemistry

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    Also known as: 13039-56-0, (2r,3s,4s)-2,3,4-trihydroxypentanal, 5-deoxy-l-(+)-arabinose, Schembl825743, Dtxsid20470908, Zinc2517029
    Molecular Formula
    C5H10O4
    Molecular Weight
    134.13  g/mol
    InChI Key
    WDRISBUVHBMJEF-YUPRTTJUSA-N
    CAS 13039-56-0
    1 2D Structure

    CAS 13039-56-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4S)-2,3,4-trihydroxypentanal
    2.1.2 InChI
    InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h2-5,7-9H,1H3/t3-,4-,5-/m0/s1
    2.1.3 InChI Key
    WDRISBUVHBMJEF-YUPRTTJUSA-N
    2.1.4 Canonical SMILES
    CC(C(C(C=O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@@H]([C@@H]([C@H](C=O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 13039-56-0

    2. (2r,3s,4s)-2,3,4-trihydroxypentanal

    3. 5-deoxy-l-(+)-arabinose

    4. Schembl825743

    5. Dtxsid20470908

    6. Zinc2517029

    7. Ac-33223

    8. W-201033

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 134.13 g/mol
    Molecular Formula C5H10O4
    XLogP3-1.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass134.05790880 g/mol
    Monoisotopic Mass134.05790880 g/mol
    Topological Polar Surface Area77.8 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity93
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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