71300905 -OEChem-05092413052D 93 98 0 1 0 0 0 0 0999 V2000 10.5673 1.5064 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.8917 -3.0138 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.7711 -1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0573 4.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 -2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -5.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1605 2.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -3.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4850 -3.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4883 4.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 -5.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -7.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 2.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 1.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 -2.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4808 1.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8052 -3.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8756 -4.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9804 5.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2483 8.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 -2.8321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2483 5.7678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.6478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1144 7.2678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6077 -4.3321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.6478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3397 -4.3321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -8.1478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2930 -1.9957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7930 -1.1297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9621 -2.7388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8756 -2.3321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7483 3.2290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4393 4.1800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7483 3.2290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2483 4.7678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0837 -4.9454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5837 -5.8114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3862 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 -6.5546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -6.1478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4904 -4.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3361 2.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6077 -2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 -3.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1144 6.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3823 6.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 -2.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3823 7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 -3.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2483 7.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0708 -2.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1831 -0.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4439 -3.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8432 -2.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3423 4.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3607 3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6959 5.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6935 -4.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 -6.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9555 0.2299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8722 -0.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -6.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -6.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5337 -3.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8889 -3.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7789 2.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5070 1.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -3.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0275 4.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6077 -1.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8304 -6.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -7.7243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8454 5.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -7.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6951 2.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0107 -2.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1521 1.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9134 -1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6513 7.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8454 7.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3397 -4.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8767 -4.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -8.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 2 18 2 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 31 5 1 6 0 0 0 6 39 1 0 0 0 0 6 43 1 0 0 0 0 35 7 1 1 0 0 0 8 41 1 0 0 0 0 33 9 1 6 0 0 0 9 76 1 0 0 0 0 10 44 1 0 0 0 0 36 11 1 1 0 0 0 11 77 1 0 0 0 0 40 12 1 1 0 0 0 12 79 1 0 0 0 0 42 13 1 1 0 0 0 13 80 1 0 0 0 0 14 45 1 0 0 0 0 14 83 1 0 0 0 0 15 85 1 0 0 0 0 16 86 1 0 0 0 0 19 47 2 0 0 0 0 20 48 2 0 0 0 0 21 51 2 0 0 0 0 22 55 2 0 0 0 0 34 23 1 1 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 38 24 1 6 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 43 25 1 6 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 48 1 0 0 0 0 26 55 1 0 0 0 0 26 87 1 0 0 0 0 27 47 1 0 0 0 0 27 54 2 0 0 0 0 28 51 1 0 0 0 0 28 57 2 0 0 0 0 29 54 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 57 1 0 0 0 0 30 92 1 0 0 0 0 30 93 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 41 1 1 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 38 1 0 0 0 0 36 63 1 0 0 0 0 37 45 1 6 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 6 0 0 0 39 66 1 0 0 0 0 40 42 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 43 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 44 72 1 0 0 0 0 44 73 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 46 52 2 0 0 0 0 46 78 1 0 0 0 0 49 53 2 0 0 0 0 49 81 1 0 0 0 0 50 56 2 0 0 0 0 50 82 1 0 0 0 0 52 54 1 0 0 0 0 52 84 1 0 0 0 0 53 55 1 0 0 0 0 53 88 1 0 0 0 0 56 57 1 0 0 0 0 56 89 1 0 0 0 0 M END > 71300905 > 1 > 1880 > 20 > 10 > 14 > AAADcfB7/gMAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFCDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C27H36N8O20P2/c28-13-1-4-33(25(42)30-13)22-17(39)16(38)11(52-22)8-49-56(45,46)55-21-12(53-24(19(21)41)34-5-2-14(29)31-26(34)43)9-50-57(47,48)54-20-10(7-36)51-23(18(20)40)35-6-3-15(37)32-27(35)44/h1-6,10-12,16-24,36,38-41H,7-9H2,(H,45,46)(H,47,48)(H2,28,30,42)(H2,29,31,43)(H,32,37,44)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > XPFZOWKWZLVXSK-GDDMVZOWSA-N > -9.4 > 854.15210956 > C27H36N8O20P2 > 854.6 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)CO)O)O > C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)O)O > 407 > 854.15210956 > 0 > 57 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 11 5 40 12 5 42 13 5 34 23 5 23 46 8 23 47 8 38 24 6 24 48 8 24 49 8 43 25 6 25 50 8 25 51 8 26 48 8 26 55 8 27 47 8 27 54 8 28 51 8 28 57 8 32 41 5 37 45 6 39 44 6 46 52 8 49 53 8 31 5 6 50 56 8 52 54 8 53 55 8 56 57 8 35 7 5 33 9 6 $$$$