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    Chemistry

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    Also known as: Tylvalosin tartrate, Chembl2105658
    Molecular Formula
    C57H93NO25
    Molecular Weight
    1192.3  g/mol
    InChI Key
    OLLSDNUHBJHKJS-BXNSNTFUSA-N
    Tylvalosin Tartrate
    1 2D Structure

    Tylvalosin Tartrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate;2,3-dihydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C53H87NO19.C4H6O6/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3;5-1(3(7)8)2(6)4(9)10/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3;1-2,5-6H,(H,7,8)(H,9,10)/b18-17+,28-22+;/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-;/m1./s1
    2.1.3 InChI Key
    OLLSDNUHBJHKJS-BXNSNTFUSA-N
    2.1.4 Canonical SMILES
    CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Tylvalosin Tartrate

    2. Chembl2105658

    2.3 Create Date
    2013-02-04
    3 Chemical and Physical Properties
    Molecular Weight 1192.3 g/mol
    Molecular Formula C57H93NO25
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count26
    Rotatable Bond Count22
    Exact Mass1191.60366745 g/mol
    Monoisotopic Mass1191.60366745 g/mol
    Topological Polar Surface Area366 Ų
    Heavy Atom Count83
    Formal Charge0
    Complexity2000
    Isotope Atom Count0
    Defined Atom Stereocenter Count21
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"BEIJING","supplierAddress":"PACIFIC ROAD NO.1, NUANQUAN ECONOMIC ZONE,HELAN COUNTY, YINCHUAN, NINGXIA, CHINA. SDNF","customerAddress":"25D, Basant Vihar,"}]
    04-Feb-2021
    31-Oct-2024
    KGS
    overview
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    Average Price (USD/KGS)

    Number of Transactions

    Total Quantity (KGS)

    Total Value (USD)

    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

    Importing Country Total Quantity
    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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