小分子和化合物库

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  1. 七叶苷(倍半水)
    CAS号: 66778-17-4        Compound CID : 16211025
    分子式: C15H16O9 · 1.5H2O        分子量: 367.31
    IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;hydrate
    SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O
    InChIKey: CQYPGSKIFJFVDQ-QWFKVUSTSA-N
    InChI: 1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1
  2. 2'-OMe-G(dmf) 亚磷酰胺单体
    CAS号: 128219-77-2
    分子式: C44H55N8O8P        分子量: 854.93
    IUPAC Name: N'-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=NC3=C2N=C(NC3=O)N=CN(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
    InChIKey: ZGDBCILCTOHNAB-NANSYJOBSA-N
    InChI: 1S/C44H55N8O8P/c1-29(2)52(30(3)4)61(58-25-13-24-45)60-38-36(59-42(39(38)56-9)51-28-46-37-40(51)48-43(49-41(37)53)47-27-50(5)6)26-57-44(31-14-11-10-12-15-31,32-16-20-34(54-7)21-17-32)33-18-22-35(55-8)2See more
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