71507450 -OEChem-05112402202D 135134 0 1 0 0 0 0 0999 V2000 7.0121 6.1371 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.7350 6.3151 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.4578 6.4932 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.4775 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8221 6.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 5.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1433 7.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0442 5.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8715 7.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3493 7.2055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1594 7.7919 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4847 17.4255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 22.4366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 12.4144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9694 8.3782 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.9395 4.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5287 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5259 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4792 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1807 6.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2679 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9036 6.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7136 7.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6265 7.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4365 7.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3507 17.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 17.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 16.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3507 22.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 22.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 21.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3507 12.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 12.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4847 11.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2168 17.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 17.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 15.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2167 22.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 22.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 20.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2168 12.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 12.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 10.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 4.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8331 6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 6.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6155 7.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8226 7.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3383 7.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 7.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5560 6.3359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3488 6.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0612 7.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2684 7.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2789 6.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0717 6.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7797 7.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7911 5.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7841 8.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9913 8.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7493 18.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 18.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 18.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2201 18.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 15.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0953 16.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7493 23.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 23.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 23.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2201 23.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 20.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0953 21.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7493 13.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 13.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0172 13.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 13.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 10.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0953 11.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9068 16.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 17.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5268 17.9624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 17.9624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 17.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 16.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 16.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 15.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 15.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9067 21.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 22.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5268 22.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 22.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 22.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 21.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 21.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 20.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 20.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9068 11.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 12.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5268 12.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 12.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 12.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 11.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 11.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0817 10.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9287 10.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 38 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 27 5 1 6 0 0 0 5 68 1 0 0 0 0 28 6 1 6 0 0 0 6 69 1 0 0 0 0 7 31 1 0 0 0 0 9 74 1 0 0 0 0 12 87 1 0 0 0 0 14 88 1 0 0 0 0 29 16 1 1 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 33 2 0 0 0 0 17 34 1 0 0 0 0 18 32 2 0 0 0 0 18 36 1 0 0 0 0 19 35 1 0 0 0 0 19 36 2 0 0 0 0 20 35 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 1 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 34 1 0 0 0 0 33 70 1 0 0 0 0 34 35 2 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 41 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 43 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 53 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 54 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 55 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 56 1 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 48 57 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49 58 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50 59 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 51 60 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52 61 1 0 0 0 0 52107 1 0 0 0 0 52108 1 0 0 0 0 53109 1 0 0 0 0 53110 1 0 0 0 0 53111 1 0 0 0 0 54112 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 56118 1 0 0 0 0 56119 1 0 0 0 0 56120 1 0 0 0 0 57121 1 0 0 0 0 57122 1 0 0 0 0 57123 1 0 0 0 0 58124 1 0 0 0 0 58125 1 0 0 0 0 58126 1 0 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 59129 1 0 0 0 0 60130 1 0 0 0 0 60131 1 0 0 0 0 60132 1 0 0 0 0 61133 1 0 0 0 0 61134 1 0 0 0 0 61135 1 0 0 0 0 M CHG 2 22 1 26 -1 M END > 71507450 > 1 > 1070 > 21 > 6 > 25 > AAADcfB//AMAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHggYCCAACBzplwYH8L9MFxCiQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACHwsAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-(7-azidoheptyl)phosphinic acid;N,N-diethylethanamine > [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-(7-azidoheptyl)phosphinic acid;N,N-diethylethanamine > [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-(7-azidoheptyl)phosphinic acid;N,N-diethylethanamine > [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-(7-azidoheptyl)phosphinic acid;N,N-diethylethanamine > [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-(7-azidoheptyl)phosphinic acid;N,N-diethylethanamine > [[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-(7-azidoheptyl)phosphinic acid;triethylamine > InChI=1S/C17H29N8O12P3.3C6H15N/c18-15-12-16(21-9-20-15)25(10-22-12)17-14(27)13(26)11(35-17)8-34-39(30,31)37-40(32,33)36-38(28,29)7-5-3-1-2-4-6-23-24-19;3*1-4-7(5-2)6-3/h9-11,13-14,17,26-27H,1-8H2,(H,28,29)(H,30,31)(H,32,33)(H2,18,20,21);3*4-6H2,1-3H3/t11-,13-,14-,17-;;;/m1.../s1 > DMUSRKUVHSBJIW-ZWHBHHBYSA-N > 933.47312783 > C35H74N11O12P3 > 934.0 > CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(CCCCCCCN=[N+]=[N-])O)O)O)N > CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(CCCCCCCN=[N+]=[N-])O)O)O)N > 283 > 933.47312783 > 0 > 61 > 4 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 29 16 5 16 32 8 16 33 8 17 33 8 17 34 8 18 32 8 18 36 8 19 35 8 19 36 8 30 31 5 32 34 8 34 35 8 27 5 6 28 6 6 $$$$