S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol

C135H156F7N24O33PS2 — CID 161221076

About S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol

S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol (PubChem CID 161221076) has the molecular formula C135H156F7N24O33PS2 and a molecular weight of 2870.96 g/mol. Its IUPAC name is S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol.

Molecular Properties

• Compound Name: S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol
• PubChem CID: 161221076
• Molecular Formula: C135H156F7N24O33PS2
• Molecular Weight: 2870.96 g/mol
• Exact Mass: 2869.03
• IUPAC Name: S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol
• SMILES: CO[C@@]1(c2ccc3c(C)ncnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)F.Cc1ccnn2c(C3(C#N)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)ccc12.Cc1nc(N)c2ncc([C@@H]3O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]3(C)F)n2n1.Cc1ncnn2c(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)ccc12.Cc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C)O[C@H](CO)[C@@H](O)[C@@]3(C)F)ccc12.Cc1ncnn2c([C@]3(O)O[C@H](CO)[C@@H](O)[C@@]3(C)F)ccc12
• InChI: InChI=1S/C29H24FN3O5.C27H24FN3O6.C26H41FN5O8PS2.C14H18FN3O4.C14H18FN3O3.C13H16FN3O4.C12H15FN4O3/c1-19-15-16-32-33-22(19)13-14-24(33)29(18-31)28(2,30)25(37-27(35)21-11-7-4-8-12-21)23(38-29)17-36-26(34)20-9-5-3-6-10-20;1-17-20-13-14-22(31(20)30-16-29-17)27(34)26(2,28)23(36-25(33)19-11-7-4-8-12-19)21(37-27)15-35-24(32)18-9-5-3-6-10-18;1-15-30-20(28)21-29-13-16(32(21)31-15)19-26(8,27)18(33)17(40-19)14-39-41(36,37-9-11-42-22(34)24(2,3)4)38-10-12-43-23(35)25(5,6)7;1-8-9-4-5-11(18(9)17-7-16-8)14(21-3)13(2,15)12(20)10(6-19)22-14;1-8-9-4-5-11(18(9)17-7-16-8)14(3)13(2,15)12(20)10(6-19)21-14;1-7-8-3-4-10(17(8)16-6-15-7)13(20)12(2,14)11(19)9(5-18)21-13;1-6-11-14-3-7(17(11)16-5-15-6)10-12(2,13)9(19)8(4-18)20-10/h3-16,23,25H,17H2,1-2H3;3-14,16,21,23,34H,15H2,1-2H3;13,17-19,33H,9-12,14H2,1-8H3,(H2,28,30,31);4-5,7,10,12,19-20H,6H2,1-3H3;4-5,7,10,12,19-20H,6H2,1-3H3;3-4,6,9,11,18-20H,5H2,1-2H3;3,5,8-10,18-19H,4H2,1-2H3/t23-,25-,28-,29?;21-,23-,26-,27?;17-,18-,19+,26-;2*10-,12-,13-,14+;9-,11-,12-,13+;8-,9-,10+,12-/m1111111/s1
• InChIKey: UXNBXHPSPDHOKJ-LEAWPQLISA-N
• XLogP: 12.94
• TPSA: 754.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 59
• Rotatable Bonds: 33
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2870.96
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol?

The IUPAC name of S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol (CID 161221076) is S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol.

What is the SMILES notation for S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol?

The canonical SMILES for S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol is CO[C@@]1(c2ccc3c(C)ncnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)F.Cc1ccnn2c(C3(C#N)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)ccc12.Cc1nc(N)c2ncc([C@@H]3O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@@]3(C)F)n2n1.Cc1ncnn2c(C3(O)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)F)ccc12.Cc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)F)cnc12.Cc1ncnn2c([C@]3(C)O[C@H](CO)[C@@H](O)[C@@]3(C)F)ccc12.Cc1ncnn2c([C@]3(O)O[C@H](CO)[C@@H](O)[C@@]3(C)F)ccc12.

What is the InChIKey of S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol?

The InChIKey is UXNBXHPSPDHOKJ-LEAWPQLISA-N. The full InChI is InChI=1S/C29H24FN3O5.C27H24FN3O6.C26H41FN5O8PS2.C14H18FN3O4.C14H18FN3O3.C13H16FN3O4.C12H15FN4O3/c1-19-15-16-32-33-22(19)13-14-24(33)29(18-31)28(2,30)25(37-27(35)21-11-7-4-8-12-21)23(38-29)17-36-26(34)20-9-5-3-6-10-20;1-17-20-13-14-22(31(20)30-16-29-17)27(34)26(2,28)23(36-25(33)19-11-7-4-8-12-19)21(37-27)15-35-24(32)18-9-5-3-6-10-18;1-15-30-20(28)21-29-13-16(32(21)31-15)19-26(8,27)18(33)17(40-19)14-39-41(36,37-9-11-42-22(34)24(2,3)4)38-10-12-43-23(35)25(5,6)7;1-8-9-4-5-11(18(9)17-7-16-8)14(21-3)13(2,15)12(20)10(6-19)22-14;1-8-9-4-5-11(18(9)17-7-16-8)14(3)13(2,15)12(20)10(6-19)21-14;1-7-8-3-4-10(17(8)16-6-15-7)13(20)12(2,14)11(19)9(5-18)21-13;1-6-11-14-3-7(17(11)16-5-15-6)10-12(2,13)9(19)8(4-18)20-10/h3-16,23,25H,17H2,1-2H3;3-14,16,21,23,34H,15H2,1-2H3;13,17-19,33H,9-12,14H2,1-8H3,(H2,28,30,31);4-5,7,10,12,19-20H,6H2,1-3H3;4-5,7,10,12,19-20H,6H2,1-3H3;3-4,6,9,11,18-20H,5H2,1-2H3;3,5,8-10,18-19H,4H2,1-2H3/t23-,25-,28-,29?;21-,23-,26-,27?;17-,18-,19+,26-;2*10-,12-,13-,14+;9-,11-,12-,13+;8-,9-,10+,12-/m1111111/s1.

What are the key properties of S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol?

S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol has a molecular weight of 2870.96 g/mol, XLogP of 12.94, 33 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for S-[2-[[(2R,3R,4R,5S)-5-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate;[(2R,3R,4R)-3-benzoyloxy-5-cyano-4-fluoro-4-methyl-5-(4-methylpyrrolo[1,2-b]pyridazin-7-yl)oxolan-2-yl]methyl benzoate;[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2R,3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-4-methyl-5-(4-methylimidazo[2,1-f][1,2,4]triazin-7-yl)oxolan-3-ol;(2S,3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyl-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolane-2,4-diol is sourced from PubChem (CID 161221076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).