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    CAS 194154-40-0 manufacturers and suppliers on PharmaCompass

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    CAS 194154-40-0

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    CAS 194154-40-0
    Also known as:
    Molecular Formula
    C22H28N6O7
    Molecular Weight
    488.5  g/mol
    InChI Key
    UMWCZUCRFYVVAW-LYKKTTPLSA-N
    1 2D Structure

    CAS 194154-40-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
    2.1.2 InChI
    InChI=1S/C22H28N6O7/c1-13(2)16(25-22(32)34-9-14-6-4-3-5-7-14)20(31)33-10-15(8-29)35-12-28-11-24-17-18(28)26-21(23)27-19(17)30/h3-7,11,13,15-16,29H,8-10,12H2,1-2H3,(H,25,32)(H3,23,26,27,30)/t15?,16-/m0/s1
    2.1.3 InChI Key
    UMWCZUCRFYVVAW-LYKKTTPLSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3
    2.2 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 488.5 g/mol
    Molecular Formula C22H28N6O7
    XLogP31.5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count13
    Exact Mass488.20194725 g/mol
    Monoisotopic Mass488.20194725 g/mol
    Topological Polar Surface Area179 A^2
    Heavy Atom Count35
    Formal Charge0
    Complexity773
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
      TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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