22303630 -OEChem-05122402592D 89 94 0 1 0 0 0 0 0999 V2000 6.8909 -1.4707 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -2.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3555 0.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -2.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8009 -4.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5954 2.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5610 -5.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6645 2.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -2.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7858 -5.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 -0.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3211 -4.2443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 1.1994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.5816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4801 -5.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4433 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.0816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1743 -5.1714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9433 1.1994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.5816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0610 -2.9842 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4044 0.6993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7208 0.0428 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7520 -3.9353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4044 1.6994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7208 0.0428 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5610 -4.5231 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3555 2.0084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4118 0.9938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3700 -3.9353 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9433 1.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2208 1.5816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -2.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5954 0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0642 -3.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5290 -5.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0153 -3.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4433 2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2232 -4.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9433 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3425 -2.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5014 0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3136 -3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1134 -4.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 2.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8084 -3.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 0.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 -1.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3236 0.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9994 -0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -4.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6602 2.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0241 -5.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2496 3.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9353 -2.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 2.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4760 -3.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7533 2.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3032 -5.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6350 -4.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2533 1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2533 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 5.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 5.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 14 2 0 0 0 0 2 27 1 0 0 0 0 2 36 1 0 0 0 0 3 28 1 0 0 0 0 3 37 1 0 0 0 0 4 29 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 30 1 0 0 0 0 8 72 1 0 0 0 0 9 31 1 0 0 0 0 9 73 1 0 0 0 0 10 32 1 0 0 0 0 10 74 1 0 0 0 0 11 33 1 0 0 0 0 11 75 1 0 0 0 0 12 34 1 0 0 0 0 12 76 1 0 0 0 0 13 35 1 0 0 0 0 13 77 1 0 0 0 0 15 45 2 0 0 0 0 16 46 2 0 0 0 0 17 47 2 0 0 0 0 18 36 1 0 0 0 0 18 42 1 0 0 0 0 18 45 1 0 0 0 0 19 37 1 0 0 0 0 19 43 1 0 0 0 0 19 46 1 0 0 0 0 20 38 1 0 0 0 0 20 44 1 0 0 0 0 20 47 1 0 0 0 0 21 45 1 0 0 0 0 21 51 2 0 0 0 0 22 46 1 0 0 0 0 22 52 2 0 0 0 0 23 47 1 0 0 0 0 23 53 2 0 0 0 0 24 51 1 0 0 0 0 24 84 1 0 0 0 0 24 85 1 0 0 0 0 25 52 1 0 0 0 0 25 86 1 0 0 0 0 25 87 1 0 0 0 0 26 53 1 0 0 0 0 26 88 1 0 0 0 0 26 89 1 0 0 0 0 27 30 1 0 0 0 0 27 39 1 0 0 0 0 27 54 1 0 0 0 0 28 31 1 0 0 0 0 28 40 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 41 1 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 32 35 1 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 60 1 0 0 0 0 34 37 1 0 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 48 2 0 0 0 0 42 78 1 0 0 0 0 43 49 2 0 0 0 0 43 79 1 0 0 0 0 44 50 2 0 0 0 0 44 80 1 0 0 0 0 48 51 1 0 0 0 0 48 81 1 0 0 0 0 49 52 1 0 0 0 0 49 82 1 0 0 0 0 50 53 1 0 0 0 0 50 83 1 0 0 0 0 M END > 22303630 > 1 > 1520 > 16 > 9 > 12 > AAADcfB7/gIAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > tris[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphate > phosphoric acid tris[[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] ester > tris[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphate > tris[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphate > tris[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphate > phosphoric acid tris[[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] ester > InChI=1S/C27H36N9O16P/c28-13-1-4-34(25(43)31-13)22-19(40)16(37)10(50-22)7-47-53(46,48-8-11-17(38)20(41)23(51-11)35-5-2-14(29)32-26(35)44)49-9-12-18(39)21(42)24(52-12)36-6-3-15(30)33-27(36)45/h1-6,10-12,16-24,37-42H,7-9H2,(H2,28,31,43)(H2,29,32,44)(H2,30,33,45) > MOUCNJQWXPDTSO-UHFFFAOYSA-N > -8.6 > 773.20176309 > C27H36N9O16P > 773.6 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O)O)O > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O)O)O > 370 > 773.20176309 > 0 > 53 > 0 > 12 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 32 10 3 33 11 3 34 12 3 35 13 3 36 18 3 18 42 8 18 45 8 37 19 3 19 43 8 19 46 8 38 20 3 20 44 8 20 47 8 21 45 8 21 51 8 22 46 8 22 52 8 23 47 8 23 53 8 27 39 3 28 40 3 29 41 3 42 48 8 43 49 8 44 50 8 48 51 8 49 52 8 50 53 8 30 8 3 31 9 3 $$$$