小分子和化合物库

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  1. 腺苷 5'-三磷酸 二钠盐 水合物
      规格或纯度 :
    • BioReagent
    • ≥99%(HPLC)
    • from microbial
    CAS号: 34369-07-8        Compound CID : 16218877
    分子式: C10H14N5Na2O13P3·xH2O        分子量: 551.14(anhydrous basis)
    IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.O.[Na+].[Na+]
    InChIKey: NTBQNWBHIXNPRU-MSQVLRTGSA-L
    InChI: 1S/C10H16N5O13P3.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1See more
  2. 亚叶酸 钙盐 水合物
    CAS号: 1492-18-8
    分子式: C20H21CaN7O7 · xH2O        分子量: 511.50 (anhydrous basis)
    IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
    SMILES: [Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13
    InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L
    InChI: 1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2See more
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