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    CAS 376608-65-0

    BUILDING BLOCK

    MARKET PLACE

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    2D Structure
    Also known as: 376608-65-0, 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol (2r,3r)-2,3-dihydroxybutanedioate, 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol l-tartaric acid, 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2r,3r)-2,3-dihydroxybutanedioic acid, Ethanol,2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-,(2r,3r)-2,3-dihydroxybutanedioate(1:1)(salt)(9ci), Mfcd22200635
    Molecular Formula
    C14H25NO10
    Molecular Weight
    367.35  g/mol
    InChI Key
    XEYNXCGNMKWIDO-ABGQOWMBSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2R,3R)-2,3-dihydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C10H19NO4.C4H6O6/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12;5-1(3(7)8)2(6)4(9)10/h6-9,12H,3-5,11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,7+,8+,9-;1-,2-/m11/s1
    2.1.3 InChI Key
    XEYNXCGNMKWIDO-ABGQOWMBSA-N
    2.1.4 Canonical SMILES
    CC1(OC2C(CC(C2O1)OCCO)N)C.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 376608-65-0

    2. 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-ethanol (2r,3r)-2,3-dihydroxybutanedioate

    3. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tartaric Acid

    4. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;(2r,3r)-2,3-dihydroxybutanedioic Acid

    5. Ethanol,2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-,(2r,3r)-2,3-dihydroxybutanedioate(1:1)(salt)(9ci)

    6. Mfcd22200635

    7. 2-(((3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl)oxy)-ethanol (2r,3r)-2,3-dihydroxybutanedioate

    8. Amot0360

    9. Schembl16053210

    10. (2r,3r)-2,3-dihydroxybutanedioic Acid; 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol

    11. Cs-m1880

    12. Akos022171443

    13. Am85746

    14. Ds-3969

    15. Ac-27493

    16. H11357

    17. A851831

    18. (2r,3r)-2,3-dihydroxybutanedioic Acid 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol

    19. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyl Tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol (2r,3r)-2,3-dihydroxysuccinate

    20. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol L-tartaric Acid Salt

    21. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol(2r,3r)-2,3-dihydroxysuccinate

    22. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-4h-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol (2r,3r)-2,3-dihydroxysuccinate

    23. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric Acid;2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol (2r,3r)-2,3-dihydroxysuccinate

    24. 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol; L(+)-tartaric Acid

    2.3 Create Date
    2013-12-26
    3 Chemical and Physical Properties
    Molecular Weight 367.35 g/mol
    Molecular Formula C14H25NO10
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass367.14784599 g/mol
    Monoisotopic Mass367.14784599 g/mol
    Topological Polar Surface Area189 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity367
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2