ECHELON C-45F16A

pro_cas
pro_cdbregno
CCD05226721
pro_formula
C45 H76 B F2 N4 O19 P3 . C6 H15 N
pro_molWeight
1220.02

basic_info

Product_Name: ECHELON C-45F16A
EnglishSynonyms: ECHELON C-45F16A
pro_mdlNumber: MFCD19705465
pro_acceptors: 23
pro_donors: 10
pro_smile: [B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)NC[C@H](COP(=O)(O)O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]([C@H]3O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC)C=C4[N+]1=C(C=C4C)C)(F)F.CCN(CC)CC
InChi: InChI=1S/C45H76BF2N4O19P3.C6H15N/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39(55)68-35(30-67-74(65,66)71-43-40(56)41(57)44(69-72(59,60)61)45(42(43)58)70-73(62,63)64)29-50-37(53)20-17-16-19-26-49-38(54)25-24-33-22-23-34-28-36-31(2)27-32(3)51(36)46(47,48)52(33)34;1-4-7(5-2)6-3/h22-23,27-28,35,40-45,56-58H,4-21,24-26,29-30H2,1-3H3,(H,49,54)(H,50,53)(H,65,66)(H2,59,60,61)(H2,62,63,64);4-6H2,1-3H3/t35-,40-,41+,42+,43-,44-,45-;/m1./s1
InChiKey: InChIKey=YNSBORGRZCAAKW-JQAQWOEXSA-N

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