UP4U

CAS No.
59985-21-6
CCD No.
CCD00821341
Formula
C18 H26 N4 O23 P4
MolWeight
790.304

Basic Information

Product Name: UP4U
CAS: 59985-21-6
English Synonyms: UP4U ; DIQUAFOSOL ; DI-5'-URIDINE-P1,P4-TETRAPHOSPHATE
MDL Number.: MFCD09837994
H bond acceptor: 27
H bond donor: 10
Smile: c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4ccc(=O)[nH]c4=O)O)O)O)O
InChi: InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
InChiKey: InChIKey=NMLMACJWHPHKGR-NCOIDOBVSA-N

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