ECHELON C-39M6A

pro_cas
pro_cdbregno
CCD05226717
pro_formula
C42 H63 B F2 N4 O23 P4 . C6 H15 N
pro_molWeight
1265.86

basic_info

Product_Name: ECHELON C-39M6A
EnglishSynonyms: ECHELON C-39M6A
pro_mdlNumber: MFCD19705461
pro_acceptors: 27
pro_donors: 11
pro_smile: [B-]1(n2c(c(c(c2C=C3[N+]1=C(C=C3)c4ccc(cc4)OC)C)CCC(=O)NCCCCCC(=O)NC[C@H](COP(=O)(O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H]([C@H]5O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCC)C)(F)F.CCN(CC)CC
InChi: InChI=1S/C42H63BF2N4O23P4.C6H15N/c1-5-6-8-12-36(52)68-30(24-67-76(64,65)72-39-37(53)40(69-73(55,56)57)42(71-75(61,62)63)41(38(39)54)70-74(58,59)60)23-47-34(50)11-9-7-10-21-46-35(51)20-18-31-25(2)33-22-28-15-19-32(27-13-16-29(66-4)17-14-27)49(28)43(44,45)48(33)26(31)3;1-4-7(5-2)6-3/h13-17,19,22,30,37-42,53-54H,5-12,18,20-21,23-24H2,1-4H3,(H,46,51)(H,47,50)(H,64,65)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63);4-6H2,1-3H3/t30-,37+,38+,39-,40+,41-,42-;/m1./s1
InChiKey: InChIKey=DRFHJFGBBXCTDL-KURDGAGQSA-N

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