basic_info |
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Product_Name: | 8-OXO-DA CEP |
CAS: | 142979-42-8 |
EnglishSynonyms: | N6-BENZOYL-2'-DEOXY-5'-O-DMT-8-OXOADENOSINE 3'-CE PHOSPHORAMIDITE ; 8-OXO-DA CEP |
pro_mdlNumber: | MFCD08061983 |
pro_acceptors: | 15 |
pro_donors: | 2 |
pro_smile: | CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(c2ccccc2)(c3ccc(cc3)OC)c4ccc(cc4)OC)n5c6c(c(ncn6)NC(=O)c7ccccc7)[nH]c5=O |
InChi: | InChI=1S/C47H52N7O8P/c1-31(2)54(32(3)4)63(60-27-13-26-48)62-39-28-41(53-44-42(51-46(53)56)43(49-30-50-44)52-45(55)33-14-9-7-10-15-33)61-40(39)29-59-47(34-16-11-8-12-17-34,35-18-22-37(57-5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,30-32,39-41H,13,27-29H2,1-6H3,(H,51,56)(H,49,50,52,55)/t39-,40+,41+,63?/m0/s1 |
InChiKey: | InChIKey=IJGKIUORDYSZMN-OBSXPSPESA-N |
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