[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate

C179H213F10N47O63P10S5 — CID 164950417

About [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate

[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate (PubChem CID 164950417) has the molecular formula C179H213F10N47O63P10S5 and a molecular weight of 4690.99 g/mol. Its IUPAC name is [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate.

Molecular Properties

• Compound Name: [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate
• PubChem CID: 164950417
• Molecular Formula: C179H213F10N47O63P10S5
• Molecular Weight: 4690.99 g/mol
• Exact Mass: 4688.07
• IUPAC Name: [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate
• SMILES: CC(C)(C)C(=O)OCOc1ccc(CSP2(=O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OCP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O2)[C@@H]3F)cc1.CCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(CSP3(=O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](F)[C@@H]4OCP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](O3)[C@@H]4F)cc2)cc1.CCCCCC(=O)Oc1ccc(CSP2(=O)CO[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@@H]3[C@H](F)[C@@H](CO2)O[C@H]3n2cnc3c(=O)[nH]c(C)nc32)cc1.CCCCCCCCCCCC(=O)Oc1ccc(CSP2(=O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OCP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(C)nc54)[C@H](O2)[C@@H]3F)cc1.Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(SCOC(=O)C(C)(C)C)CO[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C41H44F2N10O14P2S.C41H53F2N9O12P2S.C35H41F2N9O12P2S.C34H40F2N10O13P2S.C28H35F2N9O12P2S/c1-2-3-4-5-27(54)63-23-12-8-22(9-13-23)40(56)64-24-10-6-21(7-11-24)16-70-69(59)62-15-26-32(29(43)38(66-26)52-18-48-30-34(44)46-17-47-35(30)52)60-20-68(57,58)61-14-25-28(42)33(67-69)39(65-25)53-19-49-31-36(53)50-41(45)51-37(31)55;1-3-4-5-6-7-8-9-10-11-12-29(53)61-26-15-13-25(14-16-26)19-67-66(57)60-18-28-34(31(43)40(63-28)51-21-47-32-36(44)45-20-46-37(32)51)58-23-65(55,56)59-17-27-30(42)35(64-66)41(62-27)52-22-48-33-38(52)49-24(2)50-39(33)54;1-3-4-5-6-23(47)55-20-9-7-19(8-10-20)13-61-59(49)17-52-28-22(57-34(25(28)37)45-15-41-26-30(38)39-14-40-31(26)45)12-54-60(50,51)58-29-24(36)21(11-53-59)56-35(29)46-16-42-27-32(46)43-18(2)44-33(27)48;1-34(2,3)32(48)53-14-52-17-6-4-16(5-7-17)10-62-61(51)56-9-19-24(21(36)30(58-19)45-12-41-22-26(37)39-11-40-27(22)45)54-15-60(49,50)55-8-18-20(35)25(59-61)31(57-18)46-13-42-23-28(46)43-33(38)44-29(23)47;1-12-36-23-18(24(40)37-12)35-9-39(23)26-20-15(29)13(49-26)5-47-52(42,54-11-46-27(41)28(2,3)4)10-45-19-14(6-48-53(43,44)51-20)50-25(16(19)30)38-8-34-17-21(31)32-7-33-22(17)38/h6-13,17-19,25-26,28-29,32-33,38-39H,2-5,14-16,20H2,1H3,(H,57,58)(H2,44,46,47)(H3,45,50,51,55);13-16,20-22,27-28,30-31,34-35,40-41H,3-12,17-19,23H2,1-2H3,(H,55,56)(H2,44,45,46)(H,49,50,54);7-10,14-16,21-22,24-25,28-29,34-35H,3-6,11-13,17H2,1-2H3,(H,50,51)(H2,38,39,40)(H,43,44,48);4-7,11-13,18-21,24-25,30-31H,8-10,14-15H2,1-3H3,(H,49,50)(H2,37,39,40)(H3,38,43,44,47);7-9,13-16,19-20,25-26H,5-6,10-11H2,1-4H3,(H,43,44)(H2,31,32,33)(H,36,37,40)/t25-,26-,28-,29-,32-,33-,38-,39-,69?;27-,28-,30-,31-,34-,35-,40-,41-,66?;21-,22-,24-,25-,28-,29-,34-,35-,59?;18-,19-,20-,21-,24-,25-,30-,31-,61?;13-,14-,15-,16-,19-,20-,25-,26-,52?/m11111/s1
• InChIKey: ALJYTDYRQAFCAX-WPWLHSPESA-N
• XLogP: 23.45
• TPSA: 1433.77 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 105
• Rotatable Bonds: 51
• Heavy Atoms: 314
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4690.99
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	105

Frequently Asked Questions

What is the IUPAC name of [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate?

The IUPAC name of [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate (CID 164950417) is [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate.

What is the SMILES notation for [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate?

The canonical SMILES for [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate is CC(C)(C)C(=O)OCOc1ccc(CSP2(=O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OCP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O2)[C@@H]3F)cc1.CCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(CSP3(=O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](F)[C@@H]4OCP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)[nH]c(N)nc65)[C@H](O3)[C@@H]4F)cc2)cc1.CCCCCC(=O)Oc1ccc(CSP2(=O)CO[C@H]3[C@@H](F)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@@H]3[C@H](F)[C@@H](CO2)O[C@H]3n2cnc3c(=O)[nH]c(C)nc32)cc1.CCCCCCCCCCCC(=O)Oc1ccc(CSP2(=O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](F)[C@@H]3OCP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(C)nc54)[C@H](O2)[C@@H]3F)cc1.Cc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(SCOC(=O)C(C)(C)C)CO[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3F)c(=O)[nH]1.

What is the InChIKey of [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate?

The InChIKey is ALJYTDYRQAFCAX-WPWLHSPESA-N. The full InChI is InChI=1S/C41H44F2N10O14P2S.C41H53F2N9O12P2S.C35H41F2N9O12P2S.C34H40F2N10O13P2S.C28H35F2N9O12P2S/c1-2-3-4-5-27(54)63-23-12-8-22(9-13-23)40(56)64-24-10-6-21(7-11-24)16-70-69(59)62-15-26-32(29(43)38(66-26)52-18-48-30-34(44)46-17-47-35(30)52)60-20-68(57,58)61-14-25-28(42)33(67-69)39(65-25)53-19-49-31-36(53)50-41(45)51-37(31)55;1-3-4-5-6-7-8-9-10-11-12-29(53)61-26-15-13-25(14-16-26)19-67-66(57)60-18-28-34(31(43)40(63-28)51-21-47-32-36(44)45-20-46-37(32)51)58-23-65(55,56)59-17-27-30(42)35(64-66)41(62-27)52-22-48-33-38(52)49-24(2)50-39(33)54;1-3-4-5-6-23(47)55-20-9-7-19(8-10-20)13-61-59(49)17-52-28-22(57-34(25(28)37)45-15-41-26-30(38)39-14-40-31(26)45)12-54-60(50,51)58-29-24(36)21(11-53-59)56-35(29)46-16-42-27-32(46)43-18(2)44-33(27)48;1-34(2,3)32(48)53-14-52-17-6-4-16(5-7-17)10-62-61(51)56-9-19-24(21(36)30(58-19)45-12-41-22-26(37)39-11-40-27(22)45)54-15-60(49,50)55-8-18-20(35)25(59-61)31(57-18)46-13-42-23-28(46)43-33(38)44-29(23)47;1-12-36-23-18(24(40)37-12)35-9-39(23)26-20-15(29)13(49-26)5-47-52(42,54-11-46-27(41)28(2,3)4)10-45-19-14(6-48-53(43,44)51-20)50-25(16(19)30)38-8-34-17-21(31)32-7-33-22(17)38/h6-13,17-19,25-26,28-29,32-33,38-39H,2-5,14-16,20H2,1H3,(H,57,58)(H2,44,46,47)(H3,45,50,51,55);13-16,20-22,27-28,30-31,34-35,40-41H,3-12,17-19,23H2,1-2H3,(H,55,56)(H2,44,45,46)(H,49,50,54);7-10,14-16,21-22,24-25,28-29,34-35H,3-6,11-13,17H2,1-2H3,(H,50,51)(H2,38,39,40)(H,43,44,48);4-7,11-13,18-21,24-25,30-31H,8-10,14-15H2,1-3H3,(H,49,50)(H2,37,39,40)(H3,38,43,44,47);7-9,13-16,19-20,25-26H,5-6,10-11H2,1-4H3,(H,43,44)(H2,31,32,33)(H,36,37,40)/t25-,26-,28-,29-,32-,33-,38-,39-,69?;27-,28-,30-,31-,34-,35-,40-,41-,66?;21-,22-,24-,25-,28-,29-,34-,35-,59?;18-,19-,20-,21-,24-,25-,30-,31-,61?;13-,14-,15-,16-,19-,20-,25-,26-,52?/m11111/s1.

What are the key properties of [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate?

[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate has a molecular weight of 4690.99 g/mol, XLogP of 23.45, 51 rotatable bonds, 17 hydrogen bond donors, and 105 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenoxy]methyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-18-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] 4-hexanoyloxybenzoate;[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl 2,2-dimethylpropanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-13-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-3-yl]sulfanylmethyl]phenyl] dodecanoate;[4-[[(1S,6R,8R,9R,10R,16R,18R,19R)-8-(6-aminopurin-9-yl)-9,19-difluoro-3-hydroxy-18-(2-methyl-6-oxo-1H-purin-9-yl)-3,13-dioxo-2,4,7,11,14,17-hexaoxa-3λ5,13λ5-diphosphatricyclo[14.2.1.06,10]nonadecan-13-yl]sulfanylmethyl]phenyl] hexanoate is sourced from PubChem (CID 164950417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).