2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

C83H96F4N38O40P8S5 — CID 159456510

About 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one

2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 159456510) has the molecular formula C83H96F4N38O40P8S5 and a molecular weight of 2750.03 g/mol. Its IUPAC name is 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
• PubChem CID: 159456510
• Molecular Formula: C83H96F4N38O40P8S5
• Molecular Weight: 2750.03 g/mol
• Exact Mass: 2748.31
• IUPAC Name: 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
• SMILES: NC1=CC=NC2C1N=CN2[C@@H]1O[C@@]23CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]1S[C@@H](n2cnc4c(=O)[nH]c(N)nc42)[C@H](OP(O)(=S)OC3)[C@H]1F.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](c5cnc6c(N)ccnn56)O[C@@H]4COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5ccc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1
• InChI: InChI=1S/C22H26FN9O10P2S2.C21H24FN9O10P2S.C21H25N9O10P2S.C19H21F2N11O10P2S/c23-10-9-3-38-43(34,35)42-15-14-19(31-6-27-11-8(24)1-2-26-16(11)31)40-22(15,4-37-14)5-39-44(36,45)41-13(10)20(46-9)32-7-28-12-17(32)29-21(25)30-18(12)33;22-13-15-12(39-20(13)30-4-2-9-10(23)1-3-25-16(9)30)7-37-43(35,44)40-11-5-8(6-36-42(33,34)41-15)38-19(11)31-17-14(28-29-31)18(32)27-21(24)26-17;22-10-1-2-26-30-11(5-24-17(10)30)12-4-13-15(38-12)7-36-42(34,43)40-14-3-9(6-35-41(32,33)39-13)37-20(14)29-8-25-16-18(29)27-21(23)28-19(16)31;20-8-6-3-37-43(34,35)41-12-7(40-17(9(12)21)31-14-10(27-29-31)5(22)1-2-24-14)4-38-44(36,45)42-13(8)18(39-6)32-15-11(28-30-32)16(33)26-19(23)25-15/h1-2,6-7,9-11,13-16,19-20H,3-5,24H2,(H,34,35)(H,36,45)(H3,25,29,30,33);1-4,8,11-13,15,19-20H,5-7H2,(H2,23,25)(H,33,34)(H,35,44)(H3,24,26,27,32);1-2,5,8-9,12-15,20H,3-4,6-7,22H2,(H,32,33)(H,34,43)(H3,23,27,28,31);1-2,6-9,12-13,17-18H,3-4H2,(H2,22,24)(H,34,35)(H,36,45)(H3,23,25,26,33)/t9-,10+,11?,13-,14-,15+,16?,19-,20-,22-,44?;8-,11+,12+,13-,15+,19+,20+,43?;9-,12+,13-,14+,15+,20+,42?;6-,7-,8+,9+,12-,13-,17-,18-,44?/m1001/s1
• InChIKey: LUAUSWDZCLYCCW-ZFCXABILSA-N
• XLogP: -0.96
• TPSA: 1059.43 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 71
• Rotatable Bonds: 8
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.03
LogP ≤ 5	-0.96
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The IUPAC name of 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one (CID 159456510) is 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one.

What is the SMILES notation for 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The canonical SMILES for 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is NC1=CC=NC2C1N=CN2[C@@H]1O[C@@]23CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]1S[C@@H](n2cnc4c(=O)[nH]c(N)nc42)[C@H](OP(O)(=S)OC3)[C@H]1F.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4C[C@H](c5cnc6c(N)ccnn56)O[C@@H]4COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5ccc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2C3)c(=O)[nH]1.Nc1nc2c(nnn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@H](F)[C@H](n5nnc6c(N)ccnc65)O[C@@H]4COP(O)(=S)O[C@@H]2[C@H]3F)c(=O)[nH]1.

What is the InChIKey of 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

The InChIKey is LUAUSWDZCLYCCW-ZFCXABILSA-N. The full InChI is InChI=1S/C22H26FN9O10P2S2.C21H24FN9O10P2S.C21H25N9O10P2S.C19H21F2N11O10P2S/c23-10-9-3-38-43(34,35)42-15-14-19(31-6-27-11-8(24)1-2-26-16(11)31)40-22(15,4-37-14)5-39-44(36,45)41-13(10)20(46-9)32-7-28-12-17(32)29-21(25)30-18(12)33;22-13-15-12(39-20(13)30-4-2-9-10(23)1-3-25-16(9)30)7-37-43(35,44)40-11-5-8(6-36-42(33,34)41-15)38-19(11)31-17-14(28-29-31)18(32)27-21(24)26-17;22-10-1-2-26-30-11(5-24-17(10)30)12-4-13-15(38-12)7-36-42(34,43)40-14-3-9(6-35-41(32,33)39-13)37-20(14)29-8-25-16-18(29)27-21(23)28-19(16)31;20-8-6-3-37-43(34,35)41-12-7(40-17(9(12)21)31-14-10(27-29-31)5(22)1-2-24-14)4-38-44(36,45)42-13(8)18(39-6)32-15-11(28-30-32)16(33)26-19(23)25-15/h1-2,6-7,9-11,13-16,19-20H,3-5,24H2,(H,34,35)(H,36,45)(H3,25,29,30,33);1-4,8,11-13,15,19-20H,5-7H2,(H2,23,25)(H,33,34)(H,35,44)(H3,24,26,27,32);1-2,5,8-9,12-15,20H,3-4,6-7,22H2,(H,32,33)(H,34,43)(H3,23,27,28,31);1-2,6-9,12-13,17-18H,3-4H2,(H2,22,24)(H,34,35)(H,36,45)(H3,23,25,26,33)/t9-,10+,11?,13-,14-,15+,16?,19-,20-,22-,44?;8-,11+,12+,13-,15+,19+,20+,43?;9-,12+,13-,14+,15+,20+,42?;6-,7-,8+,9+,12-,13-,17-,18-,44?/m1001/s1.

What are the key properties of 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one?

2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2750.03 g/mol, XLogP of -0.96, 8 rotatable bonds, 20 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(1R,6R,7R,9R,14S,15R,19R,20R)-19-(7-amino-3a,7a-dihydroimidazo[4,5-b]pyridin-3-yl)-20-fluoro-4,12-dihydroxy-12-oxo-4-sulfanylidene-3,5,11,13,16,18-hexaoxa-8-thia-4λ5,12λ5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-1H-purin-6-one;2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(8-aminoimidazo[1,2-b]pyridazin-3-yl)-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one;5-amino-3-[(1R,6R,8R,9S,10R,15S,17R)-8-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-9-fluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one;5-amino-3-[(1S,6R,8R,9S,10R,15R,17R,18S)-8-(7-aminotriazolo[4,5-b]pyridin-3-yl)-9,18-difluoro-3,12-dihydroxy-12-oxo-3-sulfanylidene-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-6H-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 159456510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).