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    Technical details about MolPort-001-793-061, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-793-061

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 96-82-2, 4-o-beta-d-galactopyranosyl-d-gluconic acid, 4-(beta-d-galactosido)-d-gluconic acid, Chebi:55481, 65r938s4dv, Lactobionate
    Molecular Formula
    C12H22O12
    Molecular Weight
    358.30  g/mol
    InChI Key
    JYTUSYBCFIZPBE-AMTLMPIISA-N
    FDA UNII
    65R938S4DV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
    2.1.2 InChI
    InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1
    2.1.3 InChI Key
    JYTUSYBCFIZPBE-AMTLMPIISA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    65R938S4DV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Calcium Lactobionate Anhydrous

    2. Copper Lactobionate

    3. Ferric Lactobionate

    4. Lactobionate

    5. Lactobionic Acid, Calcium Salt (2:1)

    6. Lactobionic Acid, Monosodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. 96-82-2

    2. 4-o-beta-d-galactopyranosyl-d-gluconic Acid

    3. 4-(beta-d-galactosido)-d-gluconic Acid

    4. Chebi:55481

    5. 65r938s4dv

    6. Lactobionate

    7. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic Acid

    8. Dsstox_cid_28787

    9. Dsstox_rid_83056

    10. Dsstox_gsid_48861

    11. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic Acid

    12. Mfcd00078147

    13. Unii-65r938s4dv

    14. Maltobionic-acid

    15. Cas-96-82-2

    16. Ncgc00016356-01

    17. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)hexanoic Acid

    18. Prestwick_560

    19. Einecs 202-538-3

    20. Lactobionic Acid, Purum

    21. Lactobionic Acid, 97%

    22. 110638-68-1

    23. Prestwick0_000452

    24. Prestwick1_000452

    25. Prestwick2_000452

    26. Prestwick3_000452

    27. D-gluconic Acid, 4-o-b-d-galactopyranosyl-

    28. D-gluconic Acid, 4-o-.beta.-d-galactopyranosyl-

    29. Schembl24870

    30. Bspbio_000524

    31. Lactobionic Acid [ii]

    32. Lactobionic Acid [mi]

    33. Spbio_002463

    34. Bpbio1_000578

    35. Lactobionic Acid [inci]

    36. Chembl3039602

    37. Dtxsid3048861

    38. Lactobionic Acid [mart.]

    39. Lactobionic Acid [usp-rs]

    40. Lactobionic Acid [who-dd]

    41. Hms1569k06

    42. Hms2096k06

    43. Amy32686

    44. Hy-n7059

    45. Zinc4215172

    46. 96-82-2, Cgmp

    47. Methyl (r)-(-)-2-chloromandelate

    48. Tox21_113353

    49. S4964

    50. Akos015896798

    51. Akos015924795

    52. Lactobionic Acid [ep Impurity]

    53. Tox21_113353_1

    54. Ccg-214227

    55. Cs-w011829

    56. Lactobionic Acid [ep Monograph]

    57. Lactobionic Acid, Cell Impermeant Agent

    58. Ncgc00179532-01

    59. Ncgc00179532-03

    60. 4-o-beta-galactopyranosyl-d-gluconic Acid

    61. As-16070

    62. L0005

    63. D70310

    64. 078l147

    65. Q6138969

    66. D0229170-c0ec-40fc-a777-bf34018eed2a

    67. Lactobionic Acid, European Pharmacopoeia (ep) Reference Standard

    68. Wurcs=2.0/2,2,1/[a2122h][a2112h-1b_1-5]/1-2/a4-b1

    69. (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)hexanoic Acid

    70. 2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 358.30 g/mol
    Molecular Formula C12H22O12
    XLogP3-5
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass358.11112613 g/mol
    Monoisotopic Mass358.11112613 g/mol
    Topological Polar Surface Area218 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity406
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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