13804 -OEChem-09301815293D 57 58 0 1 0 0 0 0 0999 V2000 -3.6594 1.2534 1.3697 P 0 0 1 0 0 0 0 0 0 0 0 0 -3.8577 -0.7985 -0.7549 P 0 0 1 0 0 0 0 0 0 0 0 0 1.1049 2.6966 0.8126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 4.0719 -1.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 1.9259 -2.6541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 2.2032 0.8016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -2.2803 -0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -0.1869 0.6851 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 1.5237 -1.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 1.0056 2.9191 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 1.7855 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1857 -0.0054 -1.8548 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3610 -0.9710 -0.7381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7054 1.0945 0.2323 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 -3.8614 -0.4733 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6943 -0.2716 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -2.1107 1.6748 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 2.7854 -1.1978 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9982 1.8098 -1.3823 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2399 2.8824 0.3188 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9340 2.2035 -0.2524 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1248 1.8082 0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 -3.7453 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 0.2741 1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 0.8155 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 -5.2408 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -3.6765 1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 -2.7948 -1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7868 -2.3843 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 -0.7765 1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 -1.0352 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 2.4750 -1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 0.7829 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 3.8753 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 3.0101 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 1.7008 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 0.8318 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 4.6704 -1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 1.3338 -2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 -3.8885 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -4.5488 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 0.4865 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -5.9993 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -5.3623 -1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -5.2898 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -4.3332 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 -3.9560 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 -2.6299 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -2.8361 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7765 -1.8082 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0416 -3.0244 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -2.2243 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 -1.5705 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -1.4239 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9096 0.5579 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -2.3251 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 -2.7228 2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 22 1 0 0 0 0 7 29 1 0 0 0 0 9 25 2 0 0 0 0 10 55 1 0 0 0 0 14 21 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 23 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 25 1 0 0 0 0 16 31 2 0 0 0 0 17 31 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 29 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 30 2 0 0 0 0 24 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 2 12 -1 15 1 M END > DB12153 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZZPDXZPRHQOCG-OJAKKHQRSA-N/SDF?record_type=3d > C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O > InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 > RZZPDXZPRHQOCG-OJAKKHQRSA-N > C14H26N4O11P2 > 488.324 > 488.107330718 > 10 > 57 > 42.53836461969057 > 1 > 4 > 0 > 0 > {2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphono)oxy]ethyl}trimethylazanium > -1.38 > -7.108613166138413 > -1.83 > 0 > 2 > -1 > 3.258805107194146 > 1.8439200602610413 > -2.5619728051801234 > 213.49999999999997 > 113.58389999999994 > 10 > 1 > 7.99e+00 g/l > [2-({[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphono}oxy)ethyl]trimethylazanium > 0 $$$$