小分子和化合物库

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12 项目

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  1. N4-乙酰基-5'-O-DMT-2'-氟-脱氧胞苷
    CAS号: 159414-98-9
    分子式: C32H32O7FN3        分子量: 589.62
    IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
    SMILES: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)F
    InChIKey: JIFNUYITABZZQS-PYYPWFDZSA-N
    InChI: 1S/C32H32FN3O7/c1-20(37)34-27-17-18-36(31(39)35-27)30-28(33)29(38)26(43-30)19-42-32(21-7-5-4-6-8-21,22-9-13-24(40-2)14-10-22)23-11-15-25(41-3)16-12-23/h4-18,26,28-30,38H,19H2,1-3H3,(H,34,35,37,39)/t26See more
  2. LNA-Me-Bz-C 亚磷酰胺单体
    CAS号: 206055-82-5
    分子式: C48H54N5O9P        分子量: 875.96
    IUPAC Name: N-[1-[(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]-5-methyl-2-oxopyrimidin-4-yl]benzamide
    SMILES: CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)C3C4C(C(O3)(CO4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OP(N(C(C)C)C(C)C)OCCC#N
    InChIKey: XHILZPWJJJDDDY-HXAWEXODSA-N
    InChI: 1S/C48H54N5O9P/c1-32(2)53(33(3)4)63(60-28-14-27-49)62-42-41-45(52-29-34(5)43(51-46(52)55)50-44(54)35-15-10-8-11-16-35)61-47(42,30-58-41)31-59-48(36-17-12-9-13-18-36,37-19-23-39(56-6)24-20-37)38-21-25-See more
  3. 2'-OMe-G(iBu) 亚磷酰胺单体
    CAS号: 150780-67-9
    分子式: C45H56N7O9P        分子量: 869.94
    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]-2-methylpropanamide
    SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)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)OC
    InChIKey: IRRDHRZUOZNWDJ-MLLDKZSOSA-N
    InChI: 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9)38(61-62(59-25-13-24-46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-16-20-34(55-7)21-17-32)33-18-22-35(56-See more
  4. 2'-F-dC(Bz) 亚磷酰胺单体
    CAS号: 161442-19-9
    分子式: C46H51FN5O8P        分子量: 851.9
    IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1F)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
    InChIKey: CKKJPMGSTGVCJJ-GNUWXFRUSA-N
    InChI: 1S/C46H51FN5O8P/c1-31(2)52(32(3)4)61(58-29-13-27-48)60-42-39(59-44(41(42)47)51-28-26-40(50-45(51)54)49-43(53)33-14-9-7-10-15-33)30-57-46(34-16-11-8-12-17-34,35-18-22-37(55-5)23-19-35)36-20-24-38(56-6)See more
  5. 5'-DMT-乙酰基-2'-甲氧基胞苷
    CAS号: 199593-08-3
    分子式: C33H35O8N3        分子量: 601.66
    IUPAC Name: N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
    SMILES: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)OC
    InChIKey: FINUHOJILDNELQ-PMFUCWTESA-N
    InChI: 1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20-43-33(22-8-6-5-7-9-22,23-10-14-25(40-2)15-11-23)24-12-16-26(41-3)17-13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/tSee more
  6. 5'-DMT-2'-氟-异丁酰基-2'-脱氧鸟苷
    CAS号: 144089-96-3
    分子式: C35H36FN5O7        分子量: 657.70
    IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
    SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)F
    InChIKey: QQQXVSXVBFQISZ-UNVYQVKTSA-N
    InChI: 1S/C35H36FN5O7/c1-20(2)31(43)39-34-38-30-28(32(44)40-34)37-19-41(30)33-27(36)29(42)26(48-33)18-47-35(21-8-6-5-7-9-21,22-10-14-24(45-3)15-11-22)23-12-16-25(46-4)17-13-23/h5-17,19-20,26-27,29,33,42H,18HSee more
  7. Ac-rG亚磷酰胺单体
    CAS号: 944138-03-8
    分子式: C48H64N7O9PSi        分子量: 942.1
    IUPAC Name: N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]acetamide
    SMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C2N=C(NC3=O)NC(=O)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
    InChIKey: DGDYJRDKFZTURB-WUYIOLTESA-N
    InChI: 1S/C48H64N7O9PSi/c1-31(2)55(32(3)4)65(61-28-16-27-49)63-41-39(29-60-48(34-17-14-13-15-18-34,35-19-23-37(58-9)24-20-35)36-21-25-38(59-10)26-22-36)62-45(42(41)64-66(11,12)47(6,7)8)54-30-50-40-43(54)52-4See more
  8. 2'-O-MOE-G(iBu) 亚磷酰胺单体
    CAS号: 251647-55-9
    分子式: C47H60N7O10P        分子量: 914.01
    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-(2-methoxyethoxy)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
    SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)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)OCCOC
    InChIKey: LADCDGNEBIQAAU-SBCRAQIVSA-N
    InChI: 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26-57-7)40(64-65(62-25-13-24-48)54(31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18See more
  9. N2-二甲基甲脒-5'-O-(4,4'-二甲氧基三苯基)-2'-脱氧鸟苷
    CAS号: 40094-22-2
    分子式: C34H36N6O6        分子量: 624.69
    IUPAC Name: N'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
    SMILES: CN(C)C=NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
    InChIKey: YTRIMRXIMVGPAL-FTBOMTEUSA-N
    InChI: 1S/C34H36N6O6/c1-39(2)20-36-33-37-31-30(32(42)38-33)35-21-40(31)29-18-27(41)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(HSee more
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