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    CAS 55094-52-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 55094-52-5, 2,3,5-tri-o-benzyl-d-ribono-1,4-lactone, 2,3,5-tri-o-benzyl-d-ribonolactone, Remdesivir intermediate, (3r,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one, Mfcd08703966
    Molecular Formula
    C26H26O5
    Molecular Weight
    418.5  g/mol
    InChI Key
    LDHBSABBBAUMCZ-UBFVSLLYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
    2.1.2 InChI
    InChI=1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25-/m1/s1
    2.1.3 InChI Key
    LDHBSABBBAUMCZ-UBFVSLLYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COCC2C(C(C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 55094-52-5

    2. 2,3,5-tri-o-benzyl-d-ribono-1,4-lactone

    3. 2,3,5-tri-o-benzyl-d-ribonolactone

    4. Remdesivir Intermediate

    5. (3r,4r,5r)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one

    6. Mfcd08703966

    7. Remedesivir Intermediate

    8. 2,3,5-tri-o-benzyl-d-ribonic Acid 1,4-lactone

    9. Antincov Drug Intermediate

    10. Anti-ncov Drug Intermediate

    11. Schembl3304205

    12. Dtxsid00451513

    13. Ex-a3436

    14. Zb1791

    15. Zinc44171241

    16. Akos016002138

    17. Cs-w019390

    18. Ac-32444

    19. Ds-17179

    20. T3955

    21. W10947

    22. 094t525

    23. 2,3,5-tri-o-benzyl-d-ribonic Acid-1,4-lactone

    24. A870283

    25. W-203078

    26. 2-o,3-o,5-o-tribenzyl-d-ribonic Acid Gamma-lactone

    27. Anticovid-19 Intermediate 2,3,5-tri-o-benzyl-d-ribonolactone

    28. Anti-covid-19 Intermediate 2,3,5-tri-o-benzyl-d-ribonolactone

    29. (3r,4r,5r)-3,4-bis(benzyloxy)-5-((benzyloxy)methyldihydrofuran-2(3h)-one

    30. (3r,4r,5r)-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolan-2-one (non-preferred Name)

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 418.5 g/mol
    Molecular Formula C26H26O5
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count10
    Exact Mass418.17802393 g/mol
    Monoisotopic Mass418.17802393 g/mol
    Topological Polar Surface Area54 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity520
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1