70888357 -OEChem-05082420162D 79 85 0 1 0 0 0 0 0999 V2000 5.3980 -0.5099 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.6560 0.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 -1.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 2.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1104 -2.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1142 -0.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7276 -1.2519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0401 -3.4977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 3.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0401 -5.1071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8940 3.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 -3.3024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 4.7853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 -4.8024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5343 6.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 -6.3024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2562 5.9960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 1.1383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3536 -0.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3041 -1.2398 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3024 -2.2398 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7799 1.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 1.8826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3508 -2.5471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6771 2.5382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0462 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 -2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 -2.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -3.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3183 4.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6238 -4.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3932 2.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -4.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0246 -2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 4.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 -5.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3412 5.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 -3.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 5.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 0.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 -0.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8561 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2043 -2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9705 0.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3866 1.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7383 -2.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2555 2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6603 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0689 0.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5238 -2.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 -0.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 -0.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 -3.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 -3.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -1.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -2.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 1.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 1.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0504 -0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2438 -4.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6434 2.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2758 -2.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5915 -2.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -1.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 -3.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 6.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -6.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 -6.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7565 5.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3231 6.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 10 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 7 23 1 0 0 0 0 7 67 1 0 0 0 0 9 34 1 0 0 0 0 9 73 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 27 11 1 6 0 0 0 11 35 1 0 0 0 0 11 37 1 0 0 0 0 28 12 1 1 0 0 0 12 36 1 0 0 0 0 12 38 1 0 0 0 0 13 37 2 0 0 0 0 13 39 1 0 0 0 0 14 38 2 0 0 0 0 14 41 1 0 0 0 0 15 35 2 0 0 0 0 15 44 1 0 0 0 0 16 36 2 0 0 0 0 16 45 1 0 0 0 0 17 42 1 0 0 0 0 17 44 2 0 0 0 0 18 43 1 0 0 0 0 18 45 2 0 0 0 0 19 42 1 0 0 0 0 19 76 1 0 0 0 0 19 77 1 0 0 0 0 20 43 1 0 0 0 0 20 78 1 0 0 0 0 20 79 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 6 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 34 1 1 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 39 1 0 0 0 0 36 41 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 39 42 2 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 43 2 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 M END > 70888357 > 1 > 1070 > 17 > 4 > 10 > AAADcfB7/AIAAAAAAAAAAAAAAAAAAWLFiRIsWAAAAAAAAFgB/gAAHgAQiCAACBzhlwYH8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAfRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-pyrrolidin-1-yl-phosphoryl]oxymethyl]-4-methoxy-tetrahydrofuran-3-ol > (2R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-(1-pyrrolidinyl)phosphoryl]oxymethyl]-4-methoxy-3-oxolanol > (2R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-pyrrolidin-1-ylphosphoryl]oxymethyl]-4-methoxyoxolan-3-ol > (2R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-pyrrolidin-1-ylphosphoryl]oxymethyl]-4-methoxyoxolan-3-ol > (2R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-pyrrolidin-1-yl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-ol > (2R,5R)-5-adenin-9-yl-2-[[[(2R,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl]oxy-pyrrolidino-phosphoryl]oxymethyl]-4-methoxy-tetrahydrofuran-3-ol > InChI=1S/C25H34N11O8P/c1-40-20-19(38)15(43-25(20)36-12-33-18-22(27)29-10-31-24(18)36)8-41-45(39,34-4-2-3-5-34)44-13-6-16(42-14(13)7-37)35-11-32-17-21(26)28-9-30-23(17)35/h9-16,19-20,25,37-38H,2-8H2,1H3,(H2,26,28,30)(H2,27,29,31)/t13?,14-,15-,16-,19?,20?,25-,45?/m1/s1 > XPEQRXDIXCQHHS-CDGRUFBKSA-N > -2.3 > 647.23294408 > C25H34N11O8P > 647.6 > COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(N4CCCC4)OC5CC(OC5CO)N6C=NC7=C(N=CN=C76)N)O > COC1[C@@H](O[C@@H](C1O)COP(=O)(N2CCCC2)OC3C[C@@H](O[C@@H]3CO)N4C=NC5=C(N=CN=C54)N)N6C=NC7=C(N=CN=C76)N > 246 > 647.23294408 > 0 > 45 > 4 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 5 3 27 11 6 11 35 8 11 37 8 28 12 5 12 36 8 12 38 8 13 37 8 13 39 8 14 38 8 14 41 8 15 35 8 15 44 8 16 36 8 16 45 8 17 42 8 17 44 8 18 43 8 18 45 8 21 2 3 22 29 6 26 34 5 35 39 8 36 41 8 39 42 8 41 43 8 24 6 3 23 7 3 $$$$