Mrv2104 05272302462D 53 58 0 0 0 0 999 V2000 0.1365 14.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 14.1246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 13.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 13.5434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 12.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 12.1223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4353 12.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 12.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 12.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 11.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 11.3686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 10.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 10.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 9.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2053 9.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 9.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 8.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 7.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 7.0668 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 6.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 5.6691 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 5.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 4.2713 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 3.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 4.5263 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6262 4.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 5.1170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1576 6.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5372 7.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 6.8118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6573 9.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 10.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 10.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 29 32 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 33 41 1 0 0 0 0 40 42 1 0 0 0 0 34 39 2 0 0 0 0 38 43 2 0 0 0 0 36 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 2 0 0 0 0 21 47 1 0 0 0 0 21 48 2 0 0 0 0 19 49 2 0 0 0 0 19 50 1 0 0 0 0 14 51 1 0 0 0 0 13 52 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 4 40 1 45 -1 47 -1 50 -1 M END > NP0339922 > NP-MRD > CNC1=C2N=CN(C3OC(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC4OC(C(O)C4O)N4C=[N+](C)C5=C4N=C(N)NC5=O)C(O)C3OC)C2=NC=N1 > InChI=1/C23H33N10O17P3/c1-25-17-11-18(27-6-26-17)32(7-28-11)22-16(44-3)14(35)10(48-22)5-46-52(40,41)50-53(42,43)49-51(38,39)45-4-9-13(34)15(36)21(47-9)33-8-31(2)12-19(33)29-23(24)30-20(12)37/h6-10,13-16,21-22,34-36H,4-5H2,1-3H3,(H6-,24,25,26,27,29,30,37,38,39,40,41,42,43)/p-2 > JKXBDMASZFWFPA-UHFFFAOYNA-L > C23H31N10O17P3 > 812.476 > 812.109247732 > 19 > 84 > 70.63280959846244 > 0 > 6 > -2 > 0 > 2-amino-9-[3,4-dihydroxy-5-({[({[({3-hydroxy-4-methoxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}methyl phosphonato)oxy](oxido)phosphoryl}oxy)(oxido)phosphoryl]oxy}methyl)oxolan-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium > -10.200745518221673 > 1 > 6 > -2 > 1.6369355239983983 > 0.9045832951167277 > 4.788762693765379 > 377.61 > 168.72860000000006 > 14 > 0 > 2-amino-9-{3,4-dihydroxy-5-[({[({3-hydroxy-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl}methyl phosphonato)oxy(oxido)phosphoryl]oxy(oxido)phosphoryl}oxy)methyl]oxolan-2-yl}-7-methyl-6-oxo-1H-purin-7-ium > 0 > NP0339922 > m7G(5')pppm6Am $$$$