小分子和化合物库

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  1. 头孢磺吡苄钠盐 水合物
      规格或纯度 :
    • ≥95%(HPLC)(N)
    CAS号: 1426397-23-0        Compound CID : 134128779
    分子式: C₂₂H₁₉N₄NaO₈S₂•xH₂O        分子量: 554.52
    IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate
    SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.O.[Na+]
    InChIKey: XTRRFIYXAPRYES-NLFZDHTNSA-M
    InChI: 1S/C22H20N4O8S2.Na.H2O/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);;1H2/q;See more
  2. DMT-2′Fluoro-dU Phosphoramidite
      规格或纯度 :
    • ≥98%(mixture of isomers)
    CAS号: 146954-75-8        EC号: 890-263-5
    分子式: C39H46FN4O8P        分子量: 748.78
    IUPAC Name: 3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1F)N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
    InChIKey: HQHQPAYRJJMYQX-DJTPZYMWSA-N
    InChI: 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-2See more
  3. LNA-Bz-A 亚磷酰胺单体
    CAS号: 206055-79-0        EC号: 686-259-6
    分子式: C48H52N7O8P        分子量: 885.96
    IUPAC Name: N-[9-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]purin-6-yl]benzamide
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C2C(OC1(CO2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C(N=CN=C76)NC(=O)C8=CC=CC=C8
    InChIKey: HPIDKMAOZZZGOP-LIUGLABVSA-N
    InChI: 1S/C48H52N7O8P/c1-32(2)55(33(3)4)64(61-27-13-26-49)63-42-41-46(54-31-52-40-43(50-30-51-44(40)54)53-45(56)34-14-9-7-10-15-34)62-47(42,28-59-41)29-60-48(35-16-11-8-12-17-35,36-18-22-38(57-5)23-19-36)37-See more
  4. 2'-O-4'-C-Locked-T 亚磷酰胺单体
    CAS号: 206055-75-6        EC号: 686-262-2
    分子式: C41H49N4O9P        分子量: 772.84
    IUPAC Name: 3-[[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
    SMILES: CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CO3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N
    InChIKey: STPXOEPMLLHUDQ-ZRCIEBSPSA-N
    InChI: 1S/C41H49N4O9P/c1-27(2)45(28(3)4)55(52-23-11-22-42)54-36-35-38(44-24-29(5)37(46)43-39(44)47)53-40(36,25-50-35)26-51-41(30-12-9-8-10-13-30,31-14-18-33(48-6)19-15-31)32-16-20-34(49-7)21-17-32/h8-10,12-2See more
  5. S-cEt-G 亚磷酰胺单体
      规格或纯度 :
    • ≥98%(mixture of isomers)
    CAS号: 945628-66-0
    分子式: C46H56N7O9P        分子量: 881.95
    IUPAC Name: N-[9-[(1S,3R,4R,6S,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylprSee more
    SMILES: C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C3N=C(NC4=O)NC(=O)C(C)C)OP(N(C(C)C)C(C)C)OCCC#N)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC
    InChIKey: VMDSRWMHPUGGSZ-KHGLYSIJSA-N
    InChI: 1S/C46H56N7O9P/c1-28(2)41(54)50-44-49-40-37(42(55)51-44)48-27-52(40)43-38-39(62-63(59-25-13-24-47)53(29(3)4)30(5)6)45(61-43,31(7)60-38)26-58-46(32-14-11-10-12-15-32,33-16-20-35(56-8)21-17-33)34-18-22-See more
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