Structure #1 Marvin 09170913532D 49 52 0 0 0 0 999 V2000 0.0887 -3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0559 -3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 -4.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8031 -4.0549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7704 -4.0549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1669 -3.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9991 -7.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8894 -4.8754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5241 -3.7193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6963 -5.0469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0761 -4.3324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5794 -4.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 -3.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5867 -6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8241 -7.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -4.3324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6636 -5.0469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8242 -5.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -4.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 -4.9607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -4.2462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9992 -5.8006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2366 -6.5151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2763 -5.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6956 -2.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0319 -5.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8966 -4.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2365 -7.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5568 -3.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8567 -4.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3415 -4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -3.6424 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -2.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4135 -4.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9126 -4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -3.6424 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -2.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9846 -4.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -3.6424 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.7692 -2.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 -4.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 -4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -3.6424 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -2.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 -4.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 -4.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 -5.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2367 -5.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 1 0 0 0 5 2 1 1 0 0 0 2 31 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 30 1 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 6 0 0 0 9 11 1 0 0 0 0 9 25 1 6 0 0 0 10 16 1 0 0 0 0 10 26 1 6 0 0 0 11 17 1 0 0 0 0 11 27 1 6 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 28 2 0 0 0 0 16 21 1 1 0 0 0 16 29 1 0 0 0 0 17 22 1 1 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 39 40 1 0 0 0 0 40 43 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 36 39 1 0 0 0 0 43 44 1 0 0 0 0 44 47 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 1 47 1 0 0 0 0 3 48 2 0 0 0 0 18 49 2 0 0 0 0 M END > CHEBI:27791 > P(1),P(4)-bis(uridin-5'-yl) tetraphosphate > A pyrimidine ribonucleoside 5'-tetraphosphate compound having 5'-uridinyl residues at the P1- and P4-positions. > 3 > CHEBI:7877; CHEBI:22000 > P1,P4-Bis(5'-uridyl) tetrahydrogen tetraphosphate > Diquafosol > C18H26N4O23P4 > 790.30710 > 789.99383 > 0 > O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O > 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 > NMLMACJWHPHKGR-NCOIDOBVSA-N > 10232670 > 59985-21-6 > 59985-21-6 > C06198 $$$$