44357147 -OEChem-05112423242D 77 80 0 1 0 0 0 0 0999 V2000 10.2072 4.3670 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9301 4.5450 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6726 2.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 3.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 4.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1016 2.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3972 3.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2649 2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8429 4.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0172 4.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7936 3.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3384 5.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 5.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5218 3.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.3446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4327 4.8133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.2648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 3.1052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7238 3.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7210 2.2952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6743 3.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5658 4.3148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7720 3.3363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7664 3.2300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.1747 4.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4843 4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6530 4.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 3.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 4.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 2.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 3.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5344 4.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9932 2.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4278 2.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7111 3.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5400 4.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 4.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4986 5.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0005 5.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 5.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 5.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 0.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2922 2.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8849 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5404 2.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9748 5.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 13 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 14 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 21 1 0 0 0 0 4 56 1 0 0 0 0 22 5 1 1 0 0 0 5 57 1 0 0 0 0 26 6 1 1 0 0 0 6 59 1 0 0 0 0 7 29 1 0 0 0 0 8 27 1 0 0 0 0 8 60 1 0 0 0 0 9 30 1 0 0 0 0 11 69 1 0 0 0 0 12 72 1 0 0 0 0 23 15 1 1 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 25 1 0 0 0 0 16 28 1 0 0 0 0 16 53 1 0 0 0 0 17 32 2 0 0 0 0 17 33 1 0 0 0 0 18 31 2 0 0 0 0 18 35 1 0 0 0 0 19 34 1 0 0 0 0 19 36 1 0 0 0 0 19 61 1 0 0 0 0 20 34 1 0 0 0 0 20 35 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 29 1 1 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 1 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 M END > 44357147 > 1 > 943 > 17 > 8 > 15 > AAADcfB7vAMAAAAAAAAAAAAAAAAAAWLEgAAsAAAAAAAAAFgB+AAAHgAQCCAACDzhlwYH8L/MFxCgQQZhZICAgC0REKABUKAoVBCDWAJAyEAeRAgPEALTACHwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [[(2R,3S)-3,4-dihydroxy-2-pyrrolidinyl]methoxy-hydroxyphosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C21H36N6O12P2/c1-2-3-4-5-6-22-19-15-20(25-10-24-19)27(11-26-15)21-18(31)17(30)14(38-21)9-37-41(34,35)39-40(32,33)36-8-12-16(29)13(28)7-23-12/h10-14,16-18,21,23,28-31H,2-9H2,1H3,(H,32,33)(H,34,35)(H,22,24,25)/t12-,13?,14-,16+,17+,18?,21-/m1/s1 > TYAICSRXCOZKDA-NPNDSRGOSA-N > -5.2 > 626.18664460 > C21H36N6O12P2 > 626.5 > CCCCCCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CN4)O)O)O)O > CCCCCCNC1=C2C(=NC=N1)N(C=N2)[C@H]3C([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@@H](C(CN4)O)O)O)O > 260 > 626.18664460 > 0 > 41 > 5 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 15 5 15 31 8 15 32 8 17 32 8 17 33 8 18 31 8 18 35 8 20 34 8 20 35 8 24 29 5 25 30 5 31 33 8 33 34 8 21 4 3 22 5 5 26 6 5 27 8 3 $$$$