基本信息 |
|
| 产品名称： | LINKER TRIETHYLAMMONIUM SALT |
| 英文同义词： | LINKER TRIETHYLAMMONIUM SALT |
| MDL号： | MFCD00214099 |
| 氢键受体数量： | 77 |
| 氢键供体数量： | 20 |
| Smile： | CCN(CC)CC.Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6CO)n7cnc8c7nc([nH]c8=O)N)n9cnc1c9nc([nH]c1=O)N)n1ccc(nc1=O)N)n1cnc2c1ncnc2N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)O |
| InChi： | InChI=1S/C77H98N31O46P7.C6H15N/c1-30-16-104(77(118)100-67(30)111)53-12-35(151-158(125,126)139-24-46-38(15-57(147-46)108-29-90-61-66(108)96-73(84)99-70(61)114)154-159(127,128)135-19-41-33(10-51(142-41)102-6-3-48(79)92-75(102)116)149-155(119,120)133-18-40-31(110)8-50(141-40)101-5-2-47(78)91-74(101)115)43(144-53)21-137-161(131,132)152-36-13-54(105-26-87-58-62(81)85-25-86-63(58)105)145-44(36)22-138-157(123,124)150-34-11-52(103-7-4-49(80)93-76(103)117)143-42(34)20-136-160(129,130)153-37-14-56(107-28-89-60-65(107)95-72(83)98-69(60)113)146-45(37)23-134-156(121,122)148-32-9-55(140-39(32)17-109)106-27-88-59-64(106)94-71(82)97-68(59)112;1-4-7(5-2)6-3/h2-7,16,25-29,31-46,50-57,109-110H,8-15,17-24H2,1H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,78,91,115)(H2,79,92,116)(H2,80,93,117)(H2,81,85,86)(H,100,111,118)(H3,82,94,97,112)(H3,83,95,98,113)(H3,84,96,99,114);4-6H2,1-3H3/t31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,50+,51+,52+,53+,54+,55+,56+,57+;/m0./s1 |
| InChiKey： | InChIKey=FJAXTRJHMMBUCO-XQEUJUGYSA-N |
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