basic_info |
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| Product_Name: | 2'(3')-O-(4-BENZOYLBENZOYL)ADENOSINE 5'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT HYDRATE |
| CAS: | 112898-15-4 |
| EnglishSynonyms: | BZ-ATP TRIETHYLAMMONIUM SALT HYDRATE ; BENZOYLBENZOYL-ATP TRIETHYLAMMONIUM SALT HYDRATE ; 2'(3')-O-(4-BENZOYLBENZOYL)ADENOSINE 5'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT HYDRATE |
| pro_mdlNumber: | MFCD22056526 |
| pro_acceptors: | 20 |
| pro_donors: | 6 |
| pro_smile: | CCN(CC)CC.c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O.O |
| InChi: | InChI=1S/C24H24N5O15P3.C6H15N.H2O/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13;1-4-7(5-2)6-3;/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35);4-6H2,1-3H3;1H2/t16-,19-,20-,23-;;/m1../s1 |
| InChiKey: | InChIKey=MEXQYVBXROCLLV-XQDUYOAVSA-N |
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