44357146 -OEChem-04162417502D 75 78 0 1 0 0 0 0 0999 V2000 10.2072 4.6181 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.9301 4.7962 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6726 2.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 3.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 5.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1016 2.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3972 4.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2649 2.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8429 4.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0172 5.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7936 3.8080 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6208 5.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3384 5.7090 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.5218 3.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.5957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4327 5.0644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 3.3563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7238 4.1643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7210 2.5463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6743 3.8536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5658 4.5659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7720 3.5874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7664 3.4812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.1747 4.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4843 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6530 4.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 3.9092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1116 4.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 2.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 3.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5344 5.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9932 3.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4278 2.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7111 4.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5400 4.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8319 4.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 4.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4986 5.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0005 5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2077 5.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 5.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 0.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2922 2.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8849 2.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.7090 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 12 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 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 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 36 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 61 1 0 0 0 0 20 34 1 0 0 0 0 20 36 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 37 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 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 69 1 0 0 0 0 39 70 1 0 0 0 0 40 41 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 M CHG 2 11 -1 13 -1 M END > 44357146 > 1 > 927 > 17 > 6 > 15 > AAADcfB7vAMAAAAAAAAAAAAAAAAAAWLEgAAsAAAAAAAAAFgB+AAAHgAQCCAACDzhlwYH8L/MFxCgQQZhZICAgC0REKABUKAoVBCDWAJAyEAeRAgPEALTACHwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate > [[(2R,3S)-3,4-dihydroxy-2-pyrrolidinyl]methoxy-oxidophosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphate > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-oxidophosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-oxidophosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate > [[(2R,3S)-3,4-bis(oxidanyl)pyrrolidin-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate > [[(2R,3S)-3,4-dihydroxypyrrolidin-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,5R)-5-[6-(hexylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 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)/p-2/t12-,13?,14-,16+,17+,18?,21-/m1/s1 > TYAICSRXCOZKDA-NPNDSRGOSA-L > -3.1 > 624.17099454 > C21H34N6O12P2-2 > 624.5 > 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 > 266 > 624.17099454 > -2 > 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 36 8 20 34 8 20 36 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 $$$$