2'/3'-O-(2-(BIOTINYL-BUTYL-CARBAMOYL)ETHYL-CARBAMOYL)-ADENOSINE-5'-TRIPHOSPHATE, SODIUM SALT

CAS No.
CCD No.
CCD00516913
Formula
C23 H33 N9 O16 P3 S . 3 Na
MolWeight
885.519

Basic Information

Product Name: 2'/3'-O-(2-(BIOTINYL-BUTYL-CARBAMOYL)ETHYL-CARBAMOYL)-ADENOSINE-5'-TRIPHOSPHATE, SODIUM SALT
English Synonyms: BIOTIN-EDA-ATP SODIUM SALT ; 2'/3'-O-(2-(BIOTINYL-BUTYL-CARBAMOYL)ETHYL-CARBAMOYL)-ADENOSINE-5'-TRIPHOSPHATE, SODIUM SALT
MDL Number.: MFCD06200338
H bond acceptor: 25
H bond donor: 7
Smile: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)OC(=O)NCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N.[Na+].[Na+].[Na+]
InChi: InChI=1S/C23H36N9O16P3S.3Na/c24-19-16-20(28-9-27-19)32(10-29-16)21-18(17(34)12(45-21)7-44-50(40,41)48-51(42,43)47-49(37,38)39)46-23(36)26-6-5-25-14(33)4-2-1-3-13-15-11(8-52-13)30-22(35)31-15;;;/h9-13,15,17-18,21,34H,1-8H2,(H,25,33)(H,26,36)(H,40,41)(H,42,43)(H2,24,27,28)(H2,30,31,35)(H2,37,38,39);;;/q;3*+1/p-3/t11-,12+,13-,15-,17+,18+,21+;;;/m0.../s1
InChiKey: InChIKey=HFZMCDVJFKPLAJ-BVJCTNNNSA-K

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