57365117 -OEChem-04262421492D 75 78 0 1 0 0 0 0 0999 V2000 13.5042 -1.8809 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.9000 -3.0035 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.1030 -0.8628 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.3804 -0.6818 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.7775 -0.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6743 -1.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3466 0.0837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9055 -2.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8978 -0.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5097 -1.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3997 -2.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6088 -0.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6579 1.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5714 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1894 -1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3186 1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8945 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7955 -3.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0046 -2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0165 -0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7926 -1.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 4.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9682 0.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 1.3624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.5871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4526 2.8624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.4531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0865 -1.1764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0865 -1.1764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3956 -0.2253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5865 0.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4988 -1.9854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8488 1.0871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8488 0.0871 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8978 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.5871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4526 1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7205 1.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6579 -0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7205 2.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 3.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4742 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8051 -1.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8340 -0.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1390 0.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1154 -2.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 1.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 -0.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 1.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3608 1.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 1.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2909 -1.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8074 -0.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1836 1.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0046 -1.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8333 -3.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9895 3.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1836 3.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 2.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -0.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1467 -3.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2971 -4.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0607 0.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0448 -2.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 1 35 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 2 19 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 3 21 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 4 25 2 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 32 6 1 6 0 0 0 6 59 1 0 0 0 0 33 7 1 6 0 0 0 7 60 1 0 0 0 0 8 35 1 0 0 0 0 9 37 1 0 0 0 0 9 39 1 0 0 0 0 11 64 1 0 0 0 0 36 13 1 6 0 0 0 13 67 1 0 0 0 0 14 42 1 0 0 0 0 16 40 2 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 20 72 1 0 0 0 0 22 73 1 0 0 0 0 23 44 2 0 0 0 0 24 46 2 0 0 0 0 34 26 1 1 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 39 27 1 1 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 40 1 0 0 0 0 28 44 1 0 0 0 0 28 65 1 0 0 0 0 29 46 1 0 0 0 0 29 48 2 0 0 0 0 30 48 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 6 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 54 1 0 0 0 0 37 42 1 0 0 0 0 37 55 1 0 0 0 0 38 39 1 0 0 0 0 38 56 1 0 0 0 0 38 57 1 0 0 0 0 39 58 1 0 0 0 0 41 43 2 0 0 0 0 41 61 1 0 0 0 0 42 62 1 0 0 0 0 42 63 1 0 0 0 0 43 44 1 0 0 0 0 43 66 1 0 0 0 0 45 47 2 0 0 0 0 45 68 1 0 0 0 0 47 48 1 0 0 0 0 47 71 1 0 0 0 0 M END > 57365117 > 1 > 1600 > 21 > 10 > 13 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHggQCCAACBTpgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[[(3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl]phosphinic acid > [[[(3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-phosphonooxymethyl]phosphinic acid > [[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-phosphonooxymethyl]phosphinic acid > [[[(3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-phosphonooxymethyl]phosphinic acid > [[[(3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-phosphonooxy-methyl]phosphinic acid > [[[(3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl]phosphinic acid > InChI=1S/C18H27N5O21P4/c19-9-1-3-22(17(28)20-9)11-5-7(24)8(40-11)6-39-47(35,36)44-48(37,38)43-45(30,31)16(42-46(32,33)34)14-12(26)13(27)15(41-14)23-4-2-10(25)21-18(23)29/h1-4,7-8,11-16,24,26-27H,5-6H2,(H,30,31)(H,35,36)(H,37,38)(H2,19,20,28)(H,21,25,29)(H2,32,33,34)/t7-,8?,11+,12-,13+,14+,15+,16?/m0/s1 > ORIYZUZNSTYCAV-YFEUWQMGSA-N > -9 > 773.01490088 > C18H27N5O21P4 > 773.3 > C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(C(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)OP(=O)(O)O)O)O > C1[C@@H](C(O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(C([C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)OP(=O)(O)O)O)O > 394 > 773.01490088 > 0 > 48 > 6 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 13 6 34 26 5 26 40 8 26 41 8 39 27 5 27 45 8 27 46 8 28 40 8 28 44 8 29 46 8 29 48 8 31 35 6 37 42 3 41 43 8 43 44 8 45 47 8 47 48 8 32 6 6 33 7 6 35 8 3 $$$$