71507449 -OEChem-04242402202D 67 69 0 1 0 0 0 0 0999 V2000 8.4752 1.9480 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 2.1260 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9209 2.3041 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.5343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 2.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 1.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7309 2.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5073 1.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 3.1141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8124 3.0164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6224 3.6027 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.4325 4.1891 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.4026 0.6862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.4942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.1835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1767 3.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4538 3.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0895 2.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 2.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8996 3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 2.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8119 2.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5243 3.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7314 3.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8014 3.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0086 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7419 2.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5348 2.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2962 1.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 2.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2471 3.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4543 3.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 3.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2541 0.9281 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 13 1 0 0 0 0 2 14 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 25 5 1 6 0 0 0 5 47 1 0 0 0 0 26 6 1 6 0 0 0 6 48 1 0 0 0 0 7 29 1 0 0 0 0 9 59 1 0 0 0 0 12 39 1 0 0 0 0 13 66 1 0 0 0 0 15 67 1 0 0 0 0 27 17 1 1 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 31 2 0 0 0 0 18 32 1 0 0 0 0 19 30 2 0 0 0 0 19 34 1 0 0 0 0 20 33 1 0 0 0 0 20 34 2 0 0 0 0 21 33 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 1 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 32 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 34 50 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 36 38 1 0 0 0 0 36 53 1 0 0 0 0 36 54 1 0 0 0 0 37 39 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 38 40 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 M CHG 2 23 1 24 -1 M END > 71507449 > 1 > 1040 > 19 > 6 > 16 > AAADceB7/AMAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAYCCAACBzhlwYF8L9MFxCiQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACHwcAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [6-azidohexoxy(hydroxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [6-azidohexoxy(hydroxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [6-azidohexoxy(hydroxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [6-azidohexoxy(hydroxy)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [6-azidohexoxy(oxidanyl)phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [6-azidohexoxy(hydroxy)phosphoryl] hydrogen phosphate > InChI=1S/C16H27N8O13P3/c17-14-11-15(20-8-19-14)24(9-21-11)16-13(26)12(25)10(35-16)7-34-39(29,30)37-40(31,32)36-38(27,28)33-6-4-2-1-3-5-22-23-18/h8-10,12-13,16,25-26H,1-7H2,(H,27,28)(H,29,30)(H,31,32)(H2,17,19,20)/t10-,12-,13-,16-/m1/s1 > JQUCSDNHXSQXHA-XNIJJKJLSA-N > -2.8 > 632.09104394 > C16H27N8O13P3 > 632.4 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCN=[N+]=[N-])O)O)N > 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)(O)OCCCCCCN=[N+]=[N-])O)O)N > 283 > 632.09104394 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 17 5 17 30 8 17 31 8 18 31 8 18 32 8 19 30 8 19 34 8 20 33 8 20 34 8 28 29 5 30 32 8 32 33 8 25 5 6 26 6 6 $$$$