33656 -OEChem-05052421072D 69 73 0 1 0 0 0 0 0999 V2000 5.3548 0.9106 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4752 -0.3292 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -2.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3826 3.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 0.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 1.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 4.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -0.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 0.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 2.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 0.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 -1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7049 4.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7694 4.3590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4158 3.8209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.7830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 -1.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3882 3.3462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1820 4.3247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0489 4.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7909 4.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0801 5.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4372 3.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0586 5.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7264 4.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3692 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 -0.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -1.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 -1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 2.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 4.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 5.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9524 4.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 -0.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 3.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1699 2.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2054 5.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 5.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 1.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8298 3.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9586 6.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5618 7.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7799 6.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 0.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 -1.7052 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 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 30 1 0 0 0 0 23 5 1 6 0 0 0 6 32 1 0 0 0 0 28 7 1 1 0 0 0 7 58 1 0 0 0 0 8 31 1 0 0 0 0 9 60 1 0 0 0 0 11 37 2 0 0 0 0 12 68 1 0 0 0 0 13 69 1 0 0 0 0 15 40 2 0 0 0 0 26 16 1 1 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 30 17 1 6 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 34 2 0 0 0 0 18 35 1 0 0 0 0 19 33 2 0 0 0 0 19 42 1 0 0 0 0 20 37 1 0 0 0 0 20 40 1 0 0 0 0 20 61 1 0 0 0 0 21 39 1 0 0 0 0 21 42 2 0 0 0 0 22 39 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 31 1 1 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 6 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 35 1 0 0 0 0 34 57 1 0 0 0 0 35 39 2 0 0 0 0 36 38 2 0 0 0 0 36 59 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 42 65 1 0 0 0 0 M END > 33656 > 1 > 1180 > 17 > 6 > 10 > AAADceB7vAMAAAAAAAAAAAAAAAAAAWJEgAAsQAAAAAAAAFgB+AAAHgAQCCAADBzhlwYH8L/MFxCoQwd3dICAgC0REKABUCEoVFCBWAJAyUAeRAgPByLDAOCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-adenin-9-yl-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C20H27N7O13P2/c1-9-4-26(20(30)25-19(9)29)14-2-10(28)12(38-14)5-37-42(34,35)40-11-3-15(39-13(11)6-36-41(31,32)33)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28H,2-3,5-6H2,1H3,(H,34,35)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)/t10-,11-,12+,13+,14+,15+/m0/s1 > YRITVODHCMDVSY-BBZRCZKMSA-N > -4.2 > 635.11420794 > C20H27N7O13P2 > 635.4 > CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)O > CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=NC5=C(N=CN=C54)N)O > 280 > 635.11420794 > 0 > 42 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 26 16 5 16 33 8 16 34 8 30 17 6 17 36 8 17 37 8 18 34 8 18 35 8 19 33 8 19 42 8 20 37 8 20 40 8 21 39 8 21 42 8 24 31 5 27 32 6 33 35 8 35 39 8 36 38 8 38 40 8 23 5 6 28 7 5 $$$$