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    CAS 274693-53-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 274693-53-7, Benzyl (3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate, Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate, Benzyl n-[(3ar,4s,6r,6as)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-6-yl]carbamate, N-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamicacid phenylmethyl ester, Carbamicacid,n-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]-,phenylmethyl ester
    Molecular Formula
    C16H21NO5
    Molecular Weight
    307.34  g/mol
    InChI Key
    VPICQZQITAJOQA-ZOBORPQBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl N-[(3aR,4S,6R,6aS)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate
    2.1.2 InChI
    InChI=1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)/t11-,12+,13+,14-/m1/s1
    2.1.3 InChI Key
    VPICQZQITAJOQA-ZOBORPQBSA-N
    2.1.4 Canonical SMILES
    CC1(OC2C(CC(C2O1)O)NC(=O)OCC3=CC=CC=C3)C
    2.1.5 Isomeric SMILES
    CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)O)NC(=O)OCC3=CC=CC=C3)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 274693-53-7

    2. Benzyl (3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate

    3. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate

    4. Benzyl N-[(3ar,4s,6r,6as)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-6-yl]carbamate

    5. N-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]carbamicacid Phenylmethyl Ester

    6. Carbamicacid,n-[(3as,4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]-,phenylmethyl Ester

    7. Benzyl N-[(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate

    8. [3as-(3aalpha,4alpha,6alpha,6aalpha)]- (tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl)carbamic Acid Phenylmethyl Ester

    9. Benzyl (3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate

    10. Ambz0383

    11. Schembl10249662

    12. Dtxsid70477487

    13. Cs-m1243

    14. Mfcd21362984

    15. Zinc71257457

    16. Akos016005436

    17. Am85694

    18. Ac-26975

    19. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-2h,3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate

    20. Benzyl((3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)carbamate

    21. Ds-18326

    22. P20891

    23. A846830

    24. Benzyl (3 As,4r,6s,6ar)-6-hydroxy-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ylcarbamate

    25. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetra-hydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]carbamate

    26. Benzyl [(3as,4r,6s,6ar)-6-hydroxy-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,31dioxol-4-yl]carbamate

    27. N-[(1r,5s,6r,8s)-(8-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.3.0]octane-6-yl)]carbamic Acid Benzyl Ester

    28. Phenylmethyl N-[(3as, 4r,6s,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]-carbamate

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 307.34 g/mol
    Molecular Formula C16H21NO5
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass307.14197277 g/mol
    Monoisotopic Mass307.14197277 g/mol
    Topological Polar Surface Area77 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity407
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1