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    CAS 14215-97-5

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 14215-97-5, D-ribofuranose, 1-acetate 2,3,5-tribenzoate, 6974-32-9, [(2r,3r,4r)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate, (3r,4r,5r)-2-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-3-yl benzoate, 1-o-acetyl-2,3,5-tri-o-benzoyl-alpha,beta-d-ribofuranose
    Molecular Formula
    C28H24O9
    Molecular Weight
    504.5  g/mol
    InChI Key
    GCZABPLTDYVJMP-ASAMFVBJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R,4R)-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-ASAMFVBJSA-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)OC1[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 MeSH Synonyms

    1. 1-a-tb-r Cpd

    2. 1-o-acetyl-2,3,5-tri-o-benzoyl-l-ribofuranose

    2.2.2 Depositor-Supplied Synonyms

    1. 14215-97-5

    2. D-ribofuranose, 1-acetate 2,3,5-tribenzoate

    3. 6974-32-9

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

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

    6. 1-o-acetyl-2,3,5-tri-o-benzoyl-alpha,beta-d-ribofuranose

    7. Mfcd00067634

    8. 1-o-acetyl-2,3,5-tri-o-benzoyl-d-ribose

    9. D-ribofuranose 1-acetate 2,3,5-tribenzoate

    10. Schembl309486

    11. Dtxsid20448642

    12. Akos015920421

    13. Gs-5965

    14. D-ribofuranose,1-acetate2,3,5-tribenzoate

    15. Cs-0155025

    16. D-ribofuranose-1-acetate-2,3,5-tribenzoate

    17. A-d-ribofuranose 1-acetate 2,3,5-tribenzoate

    18. P15251

    19. 974a329

    20. A885227

    21. W-201228

    22. 1-o-acetyl-2,3,5-tri-o-benzoyl-?,?-d-ribofuranose

    23. 3'-deoxy-5'-o-[bis(4-methoxyphenyl)phenylmethyl]-5-methyluridine 2'-ce Phosphoramidite

    2.3 Create Date
    2006-10-26
    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 Count3
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1