Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 39994-75-7

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 39994-75-7, L-threonine methyl ester hydrochloride, H-thr-ome.hcl, L-threonine methyl ester hcl, L-threonine methyl ester, hcl, L-threonine, methyl ester, hydrochloride
    Molecular Formula
    C5H12ClNO3
    Molecular Weight
    169.61  g/mol
    InChI Key
    OZSJLLVVZFTDEY-HJXLNUONSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1
    2.1.3 InChI Key
    OZSJLLVVZFTDEY-HJXLNUONSA-N
    2.1.4 Canonical SMILES
    CC(C(C(=O)OC)N)O.Cl
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H](C(=O)OC)N)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 39994-75-7

    2. L-threonine Methyl Ester Hydrochloride

    3. H-thr-ome.hcl

    4. L-threonine Methyl Ester Hcl

    5. L-threonine Methyl Ester, Hcl

    6. L-threonine, Methyl Ester, Hydrochloride

    7. (2s,3r)-methyl 2-amino-3-hydroxybutanoate Hydrochloride

    8. Methyl (2s,3r)-2-amino-3-hydroxybutanoate Hydrochloride

    9. Methyl (2s,3r)-2-amino-3-hydroxybutanoate;hydrochloride

    10. Threonine Methyl Ester Hydrochloride

    11. [(2s,3r)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]azanium;chloride

    12. Dl-threonine Methyl Ester Hydrochloride

    13. Threonine Methyl Ester Hcl

    14. Methyl L-threoninate Hcl

    15. Mfcd00037677

    16. Einecs 254-738-5

    17. H-thr-ome?cl

    18. H-thr-ome Hydrochloride

    19. L-threonine Methyl Ester.hcl

    20. Schembl156159

    21. Chembl1221904

    22. Dtxsid20193049

    23. L-threoninemethylesterhydrochloride

    24. Akos015924193

    25. Am82244

    26. Cs-w008086

    27. Hy-w008086

    28. L-threonine Methyl Ester, Hydrochloride

    29. Threonine Methyl Ester Hydrochloride Salt

    30. Ds-15147

    31. M02985

    32. 994t757

    33. A824841

    34. Q-102761

    35. Threonine Methyl Ester Hydrochloride (h-l-thr-ome.hcl)

    36. (2s,3r)-2-amino-3-hydroxy-butyric Acid Methyl Ester Hydrochloride

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 169.61 g/mol
    Molecular Formula C5H12ClNO3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass169.0505709 g/mol
    Monoisotopic Mass169.0505709 g/mol
    Topological Polar Surface Area72.6 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity104
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2