439244 -OEChem-04192407352D 61 63 0 1 0 0 0 0 0999 V2000 6.0010 -2.2741 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -0.7741 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.7036 2.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 -0.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -2.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 2.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -2.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 3.3419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 4.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3087 6.0825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 0.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1818 1.5623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 1.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6818 2.4283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -5.2741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.7741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.7741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.7741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.7741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5007 4.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 3.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9075 5.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 5.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1115 0.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5195 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 1.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2916 2.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 0.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.8567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3102 -0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4285 0.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8841 4.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5430 5.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -2.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 0.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9443 6.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9253 6.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 1 17 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 2 18 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 22 5 1 6 0 0 0 5 50 1 0 0 0 0 23 6 1 6 0 0 0 6 51 1 0 0 0 0 30 7 1 6 0 0 0 26 8 1 1 0 0 0 8 52 1 0 0 0 0 27 9 1 6 0 0 0 9 53 1 0 0 0 0 10 31 1 0 0 0 0 28 11 1 6 0 0 0 11 54 1 0 0 0 0 13 32 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 16 34 2 0 0 0 0 25 19 1 1 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 34 1 0 0 0 0 20 36 2 0 0 0 0 21 36 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 31 1 1 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 32 1 1 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 M END > 439244 > 1 > 980 > 16 > 9 > 9 > AAADceBzPgMAAAAAAAAAAAAAAAAAASAAAAAkQAAAAAAAAAAAAAAAHgAQCCAACBTxgAcBCANABxCoQCJmdICAAAEAAgAIAAAYABCTEAIAgAAOQAAHFgIXAAHwcAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 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,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate > InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 > CGPHZDRCVSLMCF-JZMIEXBBSA-N > -6.5 > 565.07100571 > C15H25N3O16P2 > 565.32 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O > C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O > 301 > 565.07100571 > 0 > 36 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 11 6 25 19 5 19 33 8 19 34 8 20 34 8 20 36 8 24 31 5 29 32 5 33 35 8 35 36 8 22 5 6 23 6 6 30 7 6 26 8 5 27 9 6 $$$$