443200 -OEChem-05072419062D 63 64 0 1 0 0 0 0 0999 V2000 6.8909 -1.0556 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -1.7601 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.8189 -4.8916 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2256 -3.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4568 -1.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3604 -2.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7324 -5.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4121 -5.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -0.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9053 -4.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.9968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.4968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.9968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.4579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 1.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 0.4579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 1.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 -3.1691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3548 3.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 -2.3600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0868 3.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4469 -2.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0555 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8288 -3.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 0.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -2.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7936 -2.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0009 -2.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4983 -2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2264 -3.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4644 -3.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 -4.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1932 -4.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0734 -1.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 -2.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 0.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 6.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 6.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -3.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7972 -5.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 -6.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 2 19 2 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 20 2 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 24 5 1 1 0 0 0 5 44 1 0 0 0 0 25 6 1 1 0 0 0 6 45 1 0 0 0 0 7 28 1 0 0 0 0 29 8 1 6 0 0 0 9 34 1 0 0 0 0 31 11 1 1 0 0 0 11 56 1 0 0 0 0 12 32 2 0 0 0 0 13 33 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 16 61 1 0 0 0 0 17 62 1 0 0 0 0 18 63 1 0 0 0 0 27 21 1 6 0 0 0 21 30 1 0 0 0 0 21 32 1 0 0 0 0 22 32 1 0 0 0 0 22 37 2 0 0 0 0 23 37 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 6 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 30 46 1 0 0 0 0 31 34 1 0 0 0 0 31 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 37 1 0 0 0 0 36 55 1 0 0 0 0 M END > 443200 > 1 > 1050 > 17 > 9 > 13 > AAADceBzPgMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAADFThgAYDAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxy-butyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxybutyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S)-3-methyl-2,4-bis(oxidanyl)-3-phosphonooxy-butyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S)-2,4-dihydroxy-3-methyl-3-phosphonooxy-butyl] hydrogen phosphate > InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1 > HTJXTKBIUVFUAR-XHIBXCGHSA-N > -7.7 > 601.04750736 > C14H26N3O17P3 > 601.29 > CC(CO)(C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O > C[C@](CO)([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O > 318 > 601.04750736 > 0 > 37 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 11 5 27 21 6 21 30 8 21 32 8 22 32 8 22 37 8 26 28 6 30 36 8 36 37 8 24 5 5 25 6 5 29 8 6 $$$$