Mrv2104 05272302452D 52 57 0 0 0 0 999 V2000 -5.7775 -10.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5225 -11.0038 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0074 -11.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5225 -12.3387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7775 -13.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 -13.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7775 -14.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5225 -15.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0746 -15.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8196 -16.6405 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -16.3856 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6042 -16.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5647 -17.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1167 -18.0382 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 -18.5903 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.7298 -17.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6687 -18.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4138 -19.4360 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.6292 -19.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1984 -19.6909 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1589 -20.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 -20.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -21.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6713 -21.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0039 -21.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6713 -22.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0039 -23.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 -22.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -22.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 -23.7378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2260 -24.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4055 -24.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0699 -25.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5549 -25.9126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 -25.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8603 -26.4938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 -25.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4955 -24.8177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4955 -23.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9409 -22.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5621 -14.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2295 -14.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5621 -13.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2295 -12.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7379 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7379 -11.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 -10.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 -10.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -11.2587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -12.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5945 -12.4962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0234 -12.4962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 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 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 31 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 30 39 1 0 0 0 0 29 40 1 0 0 0 0 23 40 1 0 0 0 0 7 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 5 43 1 0 0 0 0 4 45 1 0 0 0 0 45 46 2 0 0 0 0 2 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 45 52 1 0 0 0 0 M CHG 4 2 1 11 -1 15 -1 20 -1 M END > NP0339921 > NP-MRD > COC1C(O)C(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=[N+](C)C3=C2N=C(N)NC3=O)OC1N1C=NC2=C1N=CN=C2N > InChI=1/C22H31N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H7-,23,24,25,26,28,29,36,37,38,39,40,41,42)/p-2 > UFVBPMPLSKDIFV-UHFFFAOYNA-L > C22H29N10O17P3 > 798.449 > 798.093597668 > 19 > 81 > 67.09992916712123 > 0 > 6 > -2 > 0 > 2-amino-9-(5-{[({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]oxy}(oxido)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium > -10.52236570257452 > 1 > 6 > -2 > 1.6352661357586213 > 0.9051255785381436 > 4.932556059036909 > 391.59999999999997 > 163.23520000000005 > 13 > 0 > 2-amino-9-[5-({[({[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methyl phosphonato}oxy(oxido)phosphoryl)oxy(oxido)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-7-methyl-6-oxo-1H-purin-7-ium > 0 > NP0339921 > m7G(5')pppAm $$$$