2'(3')-O-(4-BENZOYLBENZOYL)ADENOSINE 5'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT HYDRATE

pro_cas
112898-15-4
pro_cdbregno
CCD07076730
pro_formula
C24 H24 N5 O15 P3 . C6 H15 N . H2 O
pro_molWeight
834.602

basic_info

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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