71317649 -OEChem-05102423072D 80 85 0 1 0 0 0 0 0999 V2000 11.4394 -0.5605 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 1.7619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4878 -0.8678 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.9175 1.4546 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.2027 0.2934 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.3639 1.5785 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.4912 -3.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 3.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8371 -4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6384 6.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8409 -2.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9142 4.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7952 -1.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6101 2.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1805 0.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 0.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5362 -1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9659 1.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4123 1.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 -0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3155 1.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0565 2.5301 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6712 0.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7669 -5.5492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 5.4672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7669 -7.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 5.9645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9547 -5.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 7.1304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 -6.8539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 8.4176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9547 -8.3539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 8.0574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0291 -4.2913 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3278 5.1854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0309 -3.2913 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9142 4.3753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0776 -4.5986 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3762 4.8780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0804 -2.9806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3250 3.5673 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7730 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 2.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8207 -5.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 6.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3505 -6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 5.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8207 -6.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 6.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9547 -7.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 7.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 -5.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 8.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9311 -4.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9403 5.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5828 -3.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1966 4.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5152 -5.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 4.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4682 -2.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3871 -1.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7957 -1.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0182 2.5305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6096 1.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4040 -4.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 6.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7772 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2251 4.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9705 -6.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4309 4.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 -5.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5668 8.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4063 -1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 0.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4177 -8.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4916 -8.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 8.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4454 2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 20 2 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 2 0 0 0 0 7 38 1 0 0 0 0 7 40 1 0 0 0 0 8 39 1 0 0 0 0 8 41 1 0 0 0 0 9 34 1 0 0 0 0 9 66 1 0 0 0 0 10 35 1 0 0 0 0 10 67 1 0 0 0 0 11 36 1 0 0 0 0 11 68 1 0 0 0 0 12 37 1 0 0 0 0 12 69 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 17 74 1 0 0 0 0 18 75 1 0 0 0 0 21 80 1 0 0 0 0 24 38 1 0 0 0 0 24 44 1 0 0 0 0 24 46 1 0 0 0 0 25 39 1 0 0 0 0 25 45 1 0 0 0 0 25 47 1 0 0 0 0 26 46 2 0 0 0 0 26 48 1 0 0 0 0 27 47 2 0 0 0 0 27 49 1 0 0 0 0 28 44 2 0 0 0 0 28 52 1 0 0 0 0 29 45 2 0 0 0 0 29 53 1 0 0 0 0 30 50 1 0 0 0 0 30 52 2 0 0 0 0 31 51 1 0 0 0 0 31 53 2 0 0 0 0 32 50 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 51 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 36 1 0 0 0 0 34 38 1 0 0 0 0 34 54 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 35 55 1 0 0 0 0 36 40 1 0 0 0 0 36 56 1 0 0 0 0 37 41 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 39 59 1 0 0 0 0 40 42 1 0 0 0 0 40 60 1 0 0 0 0 41 43 1 0 0 0 0 41 61 1 0 0 0 0 42 62 1 0 0 0 0 42 63 1 0 0 0 0 43 64 1 0 0 0 0 43 65 1 0 0 0 0 44 48 1 0 0 0 0 45 49 1 0 0 0 0 46 70 1 0 0 0 0 47 71 1 0 0 0 0 48 50 2 0 0 0 0 49 51 2 0 0 0 0 52 72 1 0 0 0 0 53 73 1 0 0 0 0 M CHG 1 22 -1 M END > 71317649 > 1 > 1420 > 27 > 9 > 14 > AAADceB7/gPgAAAAAAAAAAAAAAAAAWLEiQAsWAAAAAAAAFgB/gAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > bis[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy]phosphoryl hydrogen phosphate > bis[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy]phosphoryl hydrogen phosphate > bis[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy]phosphoryl hydrogen phosphate > bis[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy]phosphoryl hydrogen phosphate > bis[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy]phosphoryl hydrogen phosphate > bis[[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-thiophosphoryl]oxy]phosphoryl hydrogen phosphate > InChI=1S/C20H28N10O17P4S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-50(39,52)46-49(38,45-48(35,36)37)47-51(40,53)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,39,52)(H,40,53)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/p-1 > YNRLXTLDRSLFLD-UHFFFAOYSA-M > -4.9 > 866.99475477 > C20H27N10O17P4S2- > 867.5 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=S)(O)OP(=O)(OP(=O)(O)[O-])OP(=S)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=S)(O)OP(=O)(OP(=O)(O)[O-])OP(=S)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N > 467 > 866.99475477 > -1 > 53 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 35 10 3 36 11 3 37 12 3 38 24 3 24 44 8 24 46 8 39 25 3 25 45 8 25 47 8 26 46 8 26 48 8 27 47 8 27 49 8 28 44 8 28 52 8 29 45 8 29 53 8 30 50 8 30 52 8 31 51 8 31 53 8 40 42 3 41 43 3 44 48 8 45 49 8 48 50 8 49 51 8 34 9 3 $$$$