2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol

C189H239F4N99O84P18S9 — CID 162245143

IUPAC2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
SMILESNc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)N[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)C[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)N[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(S)C[C@H]3[C@H]2O)c(=O)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)N[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)C[C@H]2[C@H]1F.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)C[C@H]2[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)N[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(=S)C[C@H]2[C@H]1F.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(=S)C[C@H]2[C@H]1O
InChIInChI=1S/C21H25F2N11O8P2.C21H25F2N11O6P2S2.C21H27N11O12P2.C21H27N11O11P2.C21H27N11O10P2S2.C21H27N11O10P2S.C21H27N11O10P2.C21H27N11O9P2S2.C21H27N11O8P2S2/c22-11-8-3-43(35,36)39-2-10-13(12(23)21(42-10)34-7-31-15-17(25)27-5-29-19(15)34)32-44(37,38)40-1-9(8)41-20(11)33-6-30-14-16(24)26-4-28-18(14)33;22-11-8-3-41(35,43)37-2-10-13(12(23)21(40-10)34-7-31-15-17(25)27-5-29-19(15)34)32-42(36,44)38-1-9(8)39-20(11)33-6-30-14-16(24)26-4-28-18(14)33;22-20-26-14-10(16(35)28-20)24-4-31(14)18-12(33)6-3-45(37,38)41-2-8-9(30-46(39,40)42-1-7(6)43-18)13(34)19(44-8)32-5-25-11-15(32)27-21(23)29-17(11)36;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-44(36,37)40-2-9-10(30-45(38,39)41-1-8(7)42-19)14(34)20(43-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-20-26-14-10(16(35)28-20)24-4-31(14)18-12(33)6-3-43(37,45)39-2-8-9(30-44(38,46)40-1-7(6)41-18)13(34)19(42-8)32-5-25-11-15(32)27-21(23)29-17(11)36;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-43(36,45)39-2-9-10(30-44(37,38)40-1-8(7)41-19)14(34)20(42-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-16-12-18(26-4-24-16)31(6-28-12)20-14(33)8-3-43(35,36)39-2-10-11(30-44(37,38)40-1-9(8)41-20)15(34)21(42-10)32-7-29-13-17(23)25-5-27-19(13)32;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-42(36,44)38-2-9-10(30-43(37,45)39-1-8(7)40-19)14(34)20(41-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-16-12-18(26-4-24-16)31(6-28-12)20-14(33)8-3-41(35,43)37-2-10-11(30-42(36,44)38-1-9(8)39-20)15(34)21(40-10)32-7-29-13-17(23)25-5-27-19(13)32/h4-13,20-21H,1-3H2,(H,35,36)(H2,24,26,28)(H2,25,27,29)(H2,32,37,38);4-13,20-21H,1-3H2,(H,35,43)(H2,24,26,28)(H2,25,27,29)(H2,32,36,44);4-9,12-13,18-19,33-34H,1-3H2,(H,37,38)(H2,30,39,40)(H3,22,26,28,35)(H3,23,27,29,36);4-10,13-14,19-20,33-34H,1-3H2,(H,36,37)(H2,22,24,25)(H2,30,38,39)(H3,23,28,29,35);4-9,12-13,18-19,33-34H,1-3H2,(H,37,45)(H2,30,38,46)(H3,22,26,28,35)(H3,23,27,29,36);4-10,13-14,19-20,33-34H,1-3H2,(H,36,45)(H2,22,24,25)(H2,30,37,38)(H3,23,28,29,35);4-11,14-15,20-21,33-34H,1-3H2,(H,35,36)(H2,22,24,26)(H2,23,25,27)(H2,30,37,38);4-10,13-14,19-20,33-34H,1-3H2,(H,36,44)(H2,22,24,25)(H2,30,37,45)(H3,23,28,29,35);4-11,14-15,20-21,33-34H,1-3H2,(H,35,43)(H2,22,24,26)(H2,23,25,27)(H2,30,36,44)/t8-,9-,10-,11-,12-,13-,20-,21-;8-,9-,10-,11-,12-,13-,20-,21-,41?,42?;6-,7-,8-,9-,12-,13-,18-,19-;7-,8-,9-,10-,13-,14-,19-,20-;6-,7-,8-,9-,12-,13-,18-,19-,43?,44?;7-,8-,9-,10-,13-,14-,19-,20-,43?;8-,9-,10-,11-,14-,15-,20-,21-;7-,8-,9-,10-,13-,14-,19-,20-,42?,43?;8-,9-,10-,11-,14-,15-,20-,21-,41?,42?/m111111111/s1
InChIKeyZXFSJCQVLKCZQB-FPKSGIEISA-N
MW6163.73 g/mol
LogP-14.88
Rot. Bonds18

About 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol

2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol (PubChem CID 162245143) has the molecular formula C189H239F4N99O84P18S9 and a molecular weight of 6163.73 g/mol. Its IUPAC name is 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol.

Molecular Properties

Compound Name2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
PubChem CID162245143
Molecular FormulaC189H239F4N99O84P18S9
Molecular Weight6163.73 g/mol
Exact Mass6160.02
IUPAC Name2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
SMILESNc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)N[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)C[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)N[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(S)C[C@H]3[C@H]2O)c(=O)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)N[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)C[C@H]2[C@H]1F.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)C[C@H]2[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)N[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(=S)C[C@H]2[C@H]1F.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(=S)C[C@H]2[C@H]1O
InChIInChI=1S/C21H25F2N11O8P2.C21H25F2N11O6P2S2.C21H27N11O12P2.C21H27N11O11P2.C21H27N11O10P2S2.C21H27N11O10P2S.C21H27N11O10P2.C21H27N11O9P2S2.C21H27N11O8P2S2/c22-11-8-3-43(35,36)39-2-10-13(12(23)21(42-10)34-7-31-15-17(25)27-5-29-19(15)34)32-44(37,38)40-1-9(8)41-20(11)33-6-30-14-16(24)26-4-28-18(14)33;22-11-8-3-41(35,43)37-2-10-13(12(23)21(40-10)34-7-31-15-17(25)27-5-29-19(15)34)32-42(36,44)38-1-9(8)39-20(11)33-6-30-14-16(24)26-4-28-18(14)33;22-20-26-14-10(16(35)28-20)24-4-31(14)18-12(33)6-3-45(37,38)41-2-8-9(30-46(39,40)42-1-7(6)43-18)13(34)19(44-8)32-5-25-11-15(32)27-21(23)29-17(11)36;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-44(36,37)40-2-9-10(30-45(38,39)41-1-8(7)42-19)14(34)20(43-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-20-26-14-10(16(35)28-20)24-4-31(14)18-12(33)6-3-43(37,45)39-2-8-9(30-44(38,46)40-1-7(6)41-18)13(34)19(42-8)32-5-25-11-15(32)27-21(23)29-17(11)36;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-43(36,45)39-2-9-10(30-44(37,38)40-1-8(7)41-19)14(34)20(42-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-16-12-18(26-4-24-16)31(6-28-12)20-14(33)8-3-43(35,36)39-2-10-11(30-44(37,38)40-1-9(8)41-20)15(34)21(42-10)32-7-29-13-17(23)25-5-27-19(13)32;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-42(36,44)38-2-9-10(30-43(37,45)39-1-8(7)40-19)14(34)20(41-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-16-12-18(26-4-24-16)31(6-28-12)20-14(33)8-3-41(35,43)37-2-10-11(30-42(36,44)38-1-9(8)39-20)15(34)21(40-10)32-7-29-13-17(23)25-5-27-19(13)32/h4-13,20-21H,1-3H2,(H,35,36)(H2,24,26,28)(H2,25,27,29)(H2,32,37,38);4-13,20-21H,1-3H2,(H,35,43)(H2,24,26,28)(H2,25,27,29)(H2,32,36,44);4-9,12-13,18-19,33-34H,1-3H2,(H,37,38)(H2,30,39,40)(H3,22,26,28,35)(H3,23,27,29,36);4-10,13-14,19-20,33-34H,1-3H2,(H,36,37)(H2,22,24,25)(H2,30,38,39)(H3,23,28,29,35);4-9,12-13,18-19,33-34H,1-3H2,(H,37,45)(H2,30,38,46)(H3,22,26,28,35)(H3,23,27,29,36);4-10,13-14,19-20,33-34H,1-3H2,(H,36,45)(H2,22,24,25)(H2,30,37,38)(H3,23,28,29,35);4-11,14-15,20-21,33-34H,1-3H2,(H,35,36)(H2,22,24,26)(H2,23,25,27)(H2,30,37,38);4-10,13-14,19-20,33-34H,1-3H2,(H,36,44)(H2,22,24,25)(H2,30,37,45)(H3,23,28,29,35);4-11,14-15,20-21,33-34H,1-3H2,(H,35,43)(H2,22,24,26)(H2,23,25,27)(H2,30,36,44)/t8-,9-,10-,11-,12-,13-,20-,21-;8-,9-,10-,11-,12-,13-,20-,21-,41?,42?;6-,7-,8-,9-,12-,13-,18-,19-;7-,8-,9-,10-,13-,14-,19-,20-;6-,7-,8-,9-,12-,13-,18-,19-,43?,44?;7-,8-,9-,10-,13-,14-,19-,20-,43?;8-,9-,10-,11-,14-,15-,20-,21-;7-,8-,9-,10-,13-,14-,19-,20-,42?,43?;8-,9-,10-,11-,14-,15-,20-,21-,41?,42?/m111111111/s1
InChIKeyZXFSJCQVLKCZQB-FPKSGIEISA-N
XLogP-14.88
TPSA2631.33 Ų
H-Bond Donors66
H-Bond Acceptors158
Rotatable Bonds18
Heavy Atoms403
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006163.73
LogP ≤ 5-14.88
H-Bond Donors ≤ 566
H-Bond Acceptors ≤ 10158

Analyze 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol with MolForge

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Related Compounds

2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one
CID 161064905
2-amino-9-[17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 137420719
9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3-hydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine
CID 137420677
(6S,8R,15S,17R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol
CID 148980917
2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,12,18-trihydroxy-3-oxo-3-(sulfanylamino)-12-sulfanylidene-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 156685314
2-amino-9-[(1S,6R,8R,9S,10S,15R,17R,18S)-17-(6-aminopurin-9-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,16-pentaoxa-13-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 163821691
2-amino-9-[(1R,9R,10R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3-hydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 162334678
2-amino-9-[(1S,6R,8R,9R,10S,15S,17S,18R)-17-(6-aminopurin-9-yl)-18-fluoro-9-hydroxy-3,12-dimethylidene-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 170190784
2-amino-9-[(6R,8R,9S,15R,17R,18S)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 136969326
2-amino-9-[17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 138107821
2-amino-9-[(1S,6R,8R,9R,10R,15R,17R,18R)-8-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
CID 137102493
2-amino-9-[(1S,8R,9R,10S,17R,18R)-17-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 163761176

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol?
The IUPAC name of 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol (CID 162245143) is 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol.
What is the SMILES notation for 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol?
The canonical SMILES for 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol is Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)N[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)C[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)C[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(O)(=S)N[C@H]3[C@H]2O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)N[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(S)C[C@H]3[C@H]2O)c(=O)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)N[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)C[C@H]2[C@H]1F.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)C[C@H]2[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)N[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(=S)C[C@H]2[C@H]1F.Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(O)(=S)N[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(O)(=S)C[C@H]2[C@H]1O.
What is the InChIKey of 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol?
The InChIKey is ZXFSJCQVLKCZQB-FPKSGIEISA-N. The full InChI is InChI=1S/C21H25F2N11O8P2.C21H25F2N11O6P2S2.C21H27N11O12P2.C21H27N11O11P2.C21H27N11O10P2S2.C21H27N11O10P2S.C21H27N11O10P2.C21H27N11O9P2S2.C21H27N11O8P2S2/c22-11-8-3-43(35,36)39-2-10-13(12(23)21(42-10)34-7-31-15-17(25)27-5-29-19(15)34)32-44(37,38)40-1-9(8)41-20(11)33-6-30-14-16(24)26-4-28-18(14)33;22-11-8-3-41(35,43)37-2-10-13(12(23)21(40-10)34-7-31-15-17(25)27-5-29-19(15)34)32-42(36,44)38-1-9(8)39-20(11)33-6-30-14-16(24)26-4-28-18(14)33;22-20-26-14-10(16(35)28-20)24-4-31(14)18-12(33)6-3-45(37,38)41-2-8-9(30-46(39,40)42-1-7(6)43-18)13(34)19(44-8)32-5-25-11-15(32)27-21(23)29-17(11)36;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-44(36,37)40-2-9-10(30-45(38,39)41-1-8(7)42-19)14(34)20(43-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-20-26-14-10(16(35)28-20)24-4-31(14)18-12(33)6-3-43(37,45)39-2-8-9(30-44(38,46)40-1-7(6)41-18)13(34)19(42-8)32-5-25-11-15(32)27-21(23)29-17(11)36;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-43(36,45)39-2-9-10(30-44(37,38)40-1-8(7)41-19)14(34)20(42-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-16-12-18(26-4-24-16)31(6-28-12)20-14(33)8-3-43(35,36)39-2-10-11(30-44(37,38)40-1-9(8)41-20)15(34)21(42-10)32-7-29-13-17(23)25-5-27-19(13)32;22-15-11-16(25-4-24-15)31(5-26-11)19-13(33)7-3-42(36,44)38-2-9-10(30-43(37,45)39-1-8(7)40-19)14(34)20(41-9)32-6-27-12-17(32)28-21(23)29-18(12)35;22-16-12-18(26-4-24-16)31(6-28-12)20-14(33)8-3-41(35,43)37-2-10-11(30-42(36,44)38-1-9(8)39-20)15(34)21(40-10)32-7-29-13-17(23)25-5-27-19(13)32/h4-13,20-21H,1-3H2,(H,35,36)(H2,24,26,28)(H2,25,27,29)(H2,32,37,38);4-13,20-21H,1-3H2,(H,35,43)(H2,24,26,28)(H2,25,27,29)(H2,32,36,44);4-9,12-13,18-19,33-34H,1-3H2,(H,37,38)(H2,30,39,40)(H3,22,26,28,35)(H3,23,27,29,36);4-10,13-14,19-20,33-34H,1-3H2,(H,36,37)(H2,22,24,25)(H2,30,38,39)(H3,23,28,29,35);4-9,12-13,18-19,33-34H,1-3H2,(H,37,45)(H2,30,38,46)(H3,22,26,28,35)(H3,23,27,29,36);4-10,13-14,19-20,33-34H,1-3H2,(H,36,45)(H2,22,24,25)(H2,30,37,38)(H3,23,28,29,35);4-11,14-15,20-21,33-34H,1-3H2,(H,35,36)(H2,22,24,26)(H2,23,25,27)(H2,30,37,38);4-10,13-14,19-20,33-34H,1-3H2,(H,36,44)(H2,22,24,25)(H2,30,37,45)(H3,23,28,29,35);4-11,14-15,20-21,33-34H,1-3H2,(H,35,43)(H2,22,24,26)(H2,23,25,27)(H2,30,36,44)/t8-,9-,10-,11-,12-,13-,20-,21-;8-,9-,10-,11-,12-,13-,20-,21-,41?,42?;6-,7-,8-,9-,12-,13-,18-,19-;7-,8-,9-,10-,13-,14-,19-,20-;6-,7-,8-,9-,12-,13-,18-,19-,43?,44?;7-,8-,9-,10-,13-,14-,19-,20-,43?;8-,9-,10-,11-,14-,15-,20-,21-;7-,8-,9-,10-,13-,14-,19-,20-,42?,43?;8-,9-,10-,11-,14-,15-,20-,21-,41?,42?/m111111111/s1.
What are the key properties of 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol?
2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol has a molecular weight of 6163.73 g/mol, XLogP of -14.88, 18 rotatable bonds, 66 hydrogen bond donors, and 158 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,18-trihydroxy-12-oxo-12-sulfanyl-3-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;2-amino-9-[(1S,6S,8R,9R,10S,15S,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-17-yl]-1H-purin-6-one;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;9-[(1R,6S,8R,9R,10R,15S,17R,18R)-17-(6-aminopurin-9-yl)-9,18-difluoro-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]purin-6-amine;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-bis(sulfanylidene)-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol;(1S,6S,8R,9R,10S,15S,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-4,7,13,16-tetraoxa-2-aza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol is sourced from PubChem (CID 162245143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).