1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)

C260H390N44O60P8S8Si4+4 — CID 163511992

IUPAC1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(CO)ncnc54)[C@H](OP(=O)(S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(COCCC(=O)CN)ncnc54)[C@H](OP(O)(=S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.NCC(=O)CCOCc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O.O=C(CCC(=O)NCC(=O)C[C@@H](Cc1ccccc1)C(=O)NCC(=O)CCOCc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21.O=C(CCC(=O)NCC(=O)C[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21
InChIInChI=1S/C64H68N10O17P2S2.C42H66N8O12P2S2Si2.C38H59N7O11P2S2Si2.C38H35N3O8.C30H38N8O12P2S2.8C6H15N/c75-44(21-23-53(79)72-30-41-14-5-4-12-39(41)18-19-40-13-7-9-17-49(40)72)20-22-52(78)65-29-46(77)27-43(26-38-10-2-1-3-11-38)62(82)66-28-45(76)24-25-85-32-48-55-61(70-36-68-48)74(37-71-55)64-59-56(80)50(88-64)33-86-92(83,94)90-58-51(34-87-93(84,95)91-59)89-63(57(58)81)73-31-42-15-6-8-16-47-54(42)60(73)69-35-67-47;1-41(2,3)67(7,8)61-34-30-21-56-63(52,65)59-33-29(57-40(36(33)62-68(9,10)42(4,5)6)49-18-25-13-11-12-14-27-31(25)37(49)46-22-44-27)20-55-64(53,66)60-35(34)39(58-30)50-24-48-32-28(45-23-47-38(32)50)19-54-16-15-26(51)17-43;1-37(2,3)61(7,8)55-30-26-18-50-57(47,59)53-29-25(17-49-58(48,60)54-31(30)35(52-26)45-21-43-28-24(16-46)40-20-42-34(28)45)51-36(32(29)56-62(9,10)38(4,5)6)44-15-22-13-11-12-14-23-27(22)33(44)41-19-39-23;42-31(17-19-35(45)40-25-29-12-5-4-10-27(29)14-15-28-11-6-7-13-33(28)40)16-18-34(44)39-24-32(43)23-30(22-26-8-2-1-3-9-26)38(48)49-41-36(46)20-21-37(41)47;31-7-16(39)5-6-44-9-18-22-28(35-13-33-18)38(14-36-22)30-26-23(40)19(47-30)10-45-51(42,53)49-25-20(11-46-52(43,54)50-26)48-29(24(25)41)37-8-15-3-1-2-4-17-21(15)27(37)34-12-32-17;8*1-4-7(5-2)6-3/h1-5,7,9-14,17,31,35-37,43,50-51,56-59,63-64,80-81H,6,8,15-16,20-30,32-34H2,(H,65,78)(H,66,82)(H,83,94)(H,84,95);18,22-24,29-30,33-36,39-40H,11-17,19-21,43H2,1-10H3,(H,52,65)(H,53,66);15,19-21,25-26,29-32,35-36,46H,11-14,16-18H2,1-10H3,(H,47,59)(H,48,60);1-13,30H,16-25H2,(H,39,44);8,12-14,19-20,23-26,29-30,40-41H,1-7,9-11,31H2,(H,42,53)(H,43,54);8*4-6H2,1-3H3/p+4/t43-,50-,51-,56-,57-,58-,59-,63-,64-,92?,93?;29-,30-,33-,34-,35-,36-,39-,40-,63?,64?;25-,26-,29-,30-,31-,32-,35-,36-,57?,58?;30-;19-,20-,23-,24-,25-,26-,29-,30-,51?,52?;;;;;;;;/m11111......../s1
InChIKeyDDLRHQMZJIGVQO-IBVOVLFESA-R
MW5708.90 g/mol
LogP19.10
Rot. Bonds87

About 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)

1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium) (PubChem CID 163511992) has the molecular formula C260H390N44O60P8S8Si4+4 and a molecular weight of 5708.90 g/mol. Its IUPAC name is 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium).

Molecular Properties

Compound Name1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)
PubChem CID163511992
Molecular FormulaC260H390N44O60P8S8Si4+4
Molecular Weight5708.90 g/mol
Exact Mass5704.35
IUPAC Name1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(CO)ncnc54)[C@H](OP(=O)(S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(COCCC(=O)CN)ncnc54)[C@H](OP(O)(=S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.NCC(=O)CCOCc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O.O=C(CCC(=O)NCC(=O)C[C@@H](Cc1ccccc1)C(=O)NCC(=O)CCOCc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21.O=C(CCC(=O)NCC(=O)C[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21
InChIInChI=1S/C64H68N10O17P2S2.C42H66N8O12P2S2Si2.C38H59N7O11P2S2Si2.C38H35N3O8.C30H38N8O12P2S2.8C6H15N/c75-44(21-23-53(79)72-30-41-14-5-4-12-39(41)18-19-40-13-7-9-17-49(40)72)20-22-52(78)65-29-46(77)27-43(26-38-10-2-1-3-11-38)62(82)66-28-45(76)24-25-85-32-48-55-61(70-36-68-48)74(37-71-55)64-59-56(80)50(88-64)33-86-92(83,94)90-58-51(34-87-93(84,95)91-59)89-63(57(58)81)73-31-42-15-6-8-16-47-54(42)60(73)69-35-67-47;1-41(2,3)67(7,8)61-34-30-21-56-63(52,65)59-33-29(57-40(36(33)62-68(9,10)42(4,5)6)49-18-25-13-11-12-14-27-31(25)37(49)46-22-44-27)20-55-64(53,66)60-35(34)39(58-30)50-24-48-32-28(45-23-47-38(32)50)19-54-16-15-26(51)17-43;1-37(2,3)61(7,8)55-30-26-18-50-57(47,59)53-29-25(17-49-58(48,60)54-31(30)35(52-26)45-21-43-28-24(16-46)40-20-42-34(28)45)51-36(32(29)56-62(9,10)38(4,5)6)44-15-22-13-11-12-14-23-27(22)33(44)41-19-39-23;42-31(17-19-35(45)40-25-29-12-5-4-10-27(29)14-15-28-11-6-7-13-33(28)40)16-18-34(44)39-24-32(43)23-30(22-26-8-2-1-3-9-26)38(48)49-41-36(46)20-21-37(41)47;31-7-16(39)5-6-44-9-18-22-28(35-13-33-18)38(14-36-22)30-26-23(40)19(47-30)10-45-51(42,53)49-25-20(11-46-52(43,54)50-26)48-29(24(25)41)37-8-15-3-1-2-4-17-21(15)27(37)34-12-32-17;8*1-4-7(5-2)6-3/h1-5,7,9-14,17,31,35-37,43,50-51,56-59,63-64,80-81H,6,8,15-16,20-30,32-34H2,(H,65,78)(H,66,82)(H,83,94)(H,84,95);18,22-24,29-30,33-36,39-40H,11-17,19-21,43H2,1-10H3,(H,52,65)(H,53,66);15,19-21,25-26,29-32,35-36,46H,11-14,16-18H2,1-10H3,(H,47,59)(H,48,60);1-13,30H,16-25H2,(H,39,44);8,12-14,19-20,23-26,29-30,40-41H,1-7,9-11,31H2,(H,42,53)(H,43,54);8*4-6H2,1-3H3/p+4/t43-,50-,51-,56-,57-,58-,59-,63-,64-,92?,93?;29-,30-,33-,34-,35-,36-,39-,40-,63?,64?;25-,26-,29-,30-,31-,32-,35-,36-,57?,58?;30-;19-,20-,23-,24-,25-,26-,29-,30-,51?,52?;;;;;;;;/m11111......../s1
InChIKeyDDLRHQMZJIGVQO-IBVOVLFESA-R
XLogP19.10
TPSA1253.17 Ų
H-Bond Donors22
H-Bond Acceptors94
Rotatable Bonds87
Heavy Atoms384
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005708.90
LogP ≤ 519.10
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1094

Analyze 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)?
The IUPAC name of 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium) (CID 163511992) is 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium).
What is the SMILES notation for 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)?
The canonical SMILES for 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium) is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(CO)ncnc54)[C@H](OP(=O)(S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2OP([O-])(=S)OC[C@H]3O[C@@H](n4cnc5c(COCCC(=O)CN)ncnc54)[C@H](OP(O)(=S)OC[C@H]2O[C@H]1n1cc2c4c(ncnc41)CCCC2)[C@@H]3O[Si](C)(C)C(C)(C)C.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.NCC(=O)CCOCc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O.O=C(CCC(=O)NCC(=O)C[C@@H](Cc1ccccc1)C(=O)NCC(=O)CCOCc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]3[C@@H](O)[C@H](n4cc5c6c(ncnc64)CCCC5)O[C@@H]3COP(O)(=S)O[C@@H]1[C@@H]2O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21.O=C(CCC(=O)NCC(=O)C[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21.
What is the InChIKey of 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)?
The InChIKey is DDLRHQMZJIGVQO-IBVOVLFESA-R. The full InChI is InChI=1S/C64H68N10O17P2S2.C42H66N8O12P2S2Si2.C38H59N7O11P2S2Si2.C38H35N3O8.C30H38N8O12P2S2.8C6H15N/c75-44(21-23-53(79)72-30-41-14-5-4-12-39(41)18-19-40-13-7-9-17-49(40)72)20-22-52(78)65-29-46(77)27-43(26-38-10-2-1-3-11-38)62(82)66-28-45(76)24-25-85-32-48-55-61(70-36-68-48)74(37-71-55)64-59-56(80)50(88-64)33-86-92(83,94)90-58-51(34-87-93(84,95)91-59)89-63(57(58)81)73-31-42-15-6-8-16-47-54(42)60(73)69-35-67-47;1-41(2,3)67(7,8)61-34-30-21-56-63(52,65)59-33-29(57-40(36(33)62-68(9,10)42(4,5)6)49-18-25-13-11-12-14-27-31(25)37(49)46-22-44-27)20-55-64(53,66)60-35(34)39(58-30)50-24-48-32-28(45-23-47-38(32)50)19-54-16-15-26(51)17-43;1-37(2,3)61(7,8)55-30-26-18-50-57(47,59)53-29-25(17-49-58(48,60)54-31(30)35(52-26)45-21-43-28-24(16-46)40-20-42-34(28)45)51-36(32(29)56-62(9,10)38(4,5)6)44-15-22-13-11-12-14-23-27(22)33(44)41-19-39-23;42-31(17-19-35(45)40-25-29-12-5-4-10-27(29)14-15-28-11-6-7-13-33(28)40)16-18-34(44)39-24-32(43)23-30(22-26-8-2-1-3-9-26)38(48)49-41-36(46)20-21-37(41)47;31-7-16(39)5-6-44-9-18-22-28(35-13-33-18)38(14-36-22)30-26-23(40)19(47-30)10-45-51(42,53)49-25-20(11-46-52(43,54)50-26)48-29(24(25)41)37-8-15-3-1-2-4-17-21(15)27(37)34-12-32-17;8*1-4-7(5-2)6-3/h1-5,7,9-14,17,31,35-37,43,50-51,56-59,63-64,80-81H,6,8,15-16,20-30,32-34H2,(H,65,78)(H,66,82)(H,83,94)(H,84,95);18,22-24,29-30,33-36,39-40H,11-17,19-21,43H2,1-10H3,(H,52,65)(H,53,66);15,19-21,25-26,29-32,35-36,46H,11-14,16-18H2,1-10H3,(H,47,59)(H,48,60);1-13,30H,16-25H2,(H,39,44);8,12-14,19-20,23-26,29-30,40-41H,1-7,9-11,31H2,(H,42,53)(H,43,54);8*4-6H2,1-3H3/p+4/t43-,50-,51-,56-,57-,58-,59-,63-,64-,92?,93?;29-,30-,33-,34-,35-,36-,39-,40-,63?,64?;25-,26-,29-,30-,31-,32-,35-,36-,57?,58?;30-;19-,20-,23-,24-,25-,26-,29-,30-,51?,52?;;;;;;;;/m11111......../s1.
What are the key properties of 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium)?
1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium) has a molecular weight of 5708.90 g/mol, XLogP of 19.10, 87 rotatable bonds, 22 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;1-amino-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butan-2-one;7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[(4R)-4-benzyl-2,5-dioxo-5-[[2-oxo-4-[[9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,18-trihydroxy-12-oxido-3,12-bis(sulfanylidene)-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methoxy]butyl]amino]pentyl]-4,7-dioxoheptanamide;[9-[(1R,6R,8R,9R,10R,15R,17R,18R)-9,18-bis[[tert-butyl(dimethyl)silyl]oxy]-12-oxido-3-oxo-3-sulfanyl-12-sulfanylidene-8-(3,5,7-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]purin-6-yl]methanol;(2,5-dioxopyrrolidin-1-yl) (2R)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-2-benzyl-4-oxopentanoate;octakis(triethylazanium) is sourced from PubChem (CID 163511992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).