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    CAS 124832-31-1 manufacturers and suppliers on PharmaCompass

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    CAS 124832-31-1

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    CAS 124832-31-1
    Also known as:
    Molecular Formula
    C21H26N6O6
    Molecular Weight
    458.5  g/mol
    InChI Key
    ZQSUAJRZJTUOEA-HNNXBMFYSA-N
    1 2D Structure

    CAS 124832-31-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
    2.1.2 InChI
    InChI=1S/C21H26N6O6/c1-13(2)15(24-21(30)33-10-14-6-4-3-5-7-14)19(29)32-9-8-31-12-27-11-23-16-17(27)25-20(22)26-18(16)28/h3-7,11,13,15H,8-10,12H2,1-2H3,(H,24,30)(H3,22,25,26,28)/t15-/m0/s1
    2.1.3 InChI Key
    ZQSUAJRZJTUOEA-HNNXBMFYSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)NC(=O)OCC3=CC=CC=C3
    2.2 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 458.5 g/mol
    Molecular Formula C21H26N6O6
    XLogP31.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count12
    Exact Mass458.19138257 g/mol
    Monoisotopic Mass458.19138257 g/mol
    Topological Polar Surface Area159 A^2
    Heavy Atom Count33
    Formal Charge0
    Complexity726
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      Valacyclovir Hydrochloride

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      124832-31-1
      2-[(2-amino-1,6-dihydro-6-oxo-9H -p...
      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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