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    CAS 6974-32-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6974-32-9, Beta-d-ribofuranose 1-acetate 2,3,5-tribenzoate, .beta.-d-ribofuranose, 1-acetate 2,3,5-tribenzoate, (2s,3r,4r,5r)-2-acetoxy-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl dibenzoate, Mfcd00005357, [(2r,3r,4r,5s)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
    Molecular Formula
    C28H24O9
    Molecular Weight
    504.5  g/mol
    InChI Key
    GCZABPLTDYVJMP-CBUXHAPBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R,4R,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
    2.1.2 InChI
    InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28-/m1/s1
    2.1.3 InChI Key
    GCZABPLTDYVJMP-CBUXHAPBSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
    2.1.5 Isomeric SMILES
    CC(=O)O[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6974-32-9

    2. Beta-d-ribofuranose 1-acetate 2,3,5-tribenzoate

    3. .beta.-d-ribofuranose, 1-acetate 2,3,5-tribenzoate

    4. (2s,3r,4r,5r)-2-acetoxy-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl Dibenzoate

    5. Mfcd00005357

    6. [(2r,3r,4r,5s)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl Benzoate

    7. Einecs 230-220-4

    8. Nsc 23349

    9. 1-o-acetyl-2,3,5-tri-o-benzoylpentofuranose #

    10. 1-acetyl-2,3,5-tribenzoyl-beta-d-ribofuranose

    11. Beta-d-ribofuranose, 1-acetate 2,3,5-tribenzoate

    12. Schembl308250

    13. 1-acetyl-2,3,5-tribenzoy-b-d-ribofuranose

    14. 1-o-acetyl-2,3,5-tri-o-benzoyl-?-d-ribofuranose

    15. Azacitidine Related Compound B

    16. Ribofuranose, 1-acetate 2,3,5-tribenzoate, Beta-d-

    17. Dtxsid40884346

    18. (2s,3r,4r,5r)-2-acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl Dibenzoate

    19. Amy24697

    20. Zinc3956807

    21. Akos015889645

    22. Ac-4270

    23. Cs-w007928

    24. [(2r,3r,4r,5s)-5-(acetyloxy)-3,4-bis(benzoyloxy)oxolan-2-yl]methyl Benzoate

    25. Acetyl-tribenzoyl-.beta.-d-ribofuranose

    26. As-13409

    27. R0067

    28. 1-acetyl-2,3,5-tribenzoy-beta-d-ribofuranose

    29. 1-o-ac-2,3,5-tri-o-bz-beta-d-ribofuranose

    30. F16262

    31. 1-o-acetyl-2,3,5-tri-o-benzoyl-beta-d-ribose

    32. 1-acetyl-2,3,5-tribenzoyl-.beta.-d-ribofuranose

    33. Beta-d-ribofuranose,1-acetate 2,3,5-tribenzoate

    34. 1-o-acetyl-2,3,5-o-benzoyl-.beta.-d-ribofuranose

    35. 1-o-acetyl-2,3,5-tri-o-benzoyl-b-d-ribofuranose

    36. 1-o-acetyl-2,3,5-tri-o-benzoyl-ss-d-ribofuranose

    37. 1-o-acetyl-2,3,5-tri-o-benzoylbeta-d-ribofuranose

    38. 1-o-acetyl-2,3,5-tri-o-benzoyl Beta-d-ribofuranose

    39. 1-o-acetyl-2,3,5-tri-o-benzoyl- Beta -d-ribofuranose

    40. 1-o-acetyl-2,3,5-tri-o-benzoyl-.beta.-d-ribofuranose

    41. 1-o-acetyl-2,3,5-tri-o-benzyl-.beta.-d-ribofuranose

    42. Beta-d-ribofuranose 1-acetate 2,3,5-tribenzoate, 98%

    43. Ribofuranose, 1-acetate 2,3,5-tribenzoate, .beta.-d-

    44. Azacitidine Related Compound B, United States Pharmacopeia (usp) Reference Standard

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 504.5 g/mol
    Molecular Formula C28H24O9
    XLogP35.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count12
    Exact Mass504.14203234 g/mol
    Monoisotopic Mass504.14203234 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity794
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1