S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

C130H188Cl2F2N19O51P5S — CID 161156717

About S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate (PubChem CID 161156717) has the molecular formula C130H188Cl2F2N19O51P5S and a molecular weight of 3128.85 g/mol. Its IUPAC name is S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
• PubChem CID: 161156717
• Molecular Formula: C130H188Cl2F2N19O51P5S
• Molecular Weight: 3128.85 g/mol
• Exact Mass: 3126.05
• IUPAC Name: S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
• SMILES: C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(NCc2ccccc2)OCCSC(=O)C(C)(C)CO)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](OC(=O)C(N)C(C)C)[C@@]1(C)O.Cc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)Cl.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](O)[C@@]2(C)Cl)c(=O)[nH]1
• InChI: InChI=1S/C27H36ClN6O7P.C27H35ClN5O8P.C27H43FN3O15P.C26H37FN3O9PS.C23H37N2O12P/c1-16-21-23(32-26(29)31-16)34(15-30-21)25-27(3,28)22(35)20(40-25)14-38-42(37,41-19-12-8-5-9-13-19)33-17(2)24(36)39-18-10-6-4-7-11-18;1-16(25(36)39-18-10-6-4-7-11-18)32-42(37,41-19-12-8-5-9-13-19)38-14-20-22(34)27(3,28)26(40-20)33-15-29-21-23(33)30-17(2)31-24(21)35;1-15(2)20(29)21(33)45-22-26(8,36)23(31-10-9-19(32)30-18(31)7)46-27(22,11-28)12-40-47(37,41-13-38-24(34)43-16(3)4)42-14-39-25(35)44-17(5)6;1-18-29-20(32)10-11-30(18)22-25(4,35)21(33)26(15-27,39-22)17-38-40(36,28-14-19-8-6-5-7-9-19)37-12-13-41-23(34)24(2,3)16-31;1-14-24-16(26)9-10-25(14)18-23(8,30)17(27)15(37-18)11-34-38(31,35-12-32-19(28)21(2,3)4)36-13-33-20(29)22(5,6)7/h5,8-9,12-13,15,17-18,20,22,25,35H,4,6-7,10-11,14H2,1-3H3,(H,33,37)(H2,29,31,32);5,8-9,12-13,15-16,18,20,22,26,34H,4,6-7,10-11,14H2,1-3H3,(H,32,37)(H,30,31,35);9-10,15-17,20,22-23,36H,7,11-14,29H2,1-6,8H3,(H,30,32);5-11,21-22,31,33,35H,1,12-17H2,2-4H3,(H,28,36)(H,29,32);9-10,15,17-18,27,30H,1,11-13H2,2-8H3,(H,24,26)/t17?,20-,22-,25-,27-,42?;16?,20-,22-,26-,27-,42?;20?,22-,23+,26+,27+;21-,22+,25+,26+,40?;15-,17-,18-,23-/m11001/s1
• InChIKey: UPJUDVGSLSMLEH-LINLOXDTSA-N
• XLogP: 13.36
• TPSA: 916.05 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 64
• Rotatable Bonds: 60
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3128.85
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	64

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?

The IUPAC name of S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate (CID 161156717) is S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.

What is the SMILES notation for S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?

The canonical SMILES for S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate is C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(NCc2ccccc2)OCCSC(=O)C(C)(C)CO)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](OC(=O)C(N)C(C)C)[C@@]1(C)O.Cc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)Cl.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](O)[C@@]2(C)Cl)c(=O)[nH]1.

What is the InChIKey of S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?

The InChIKey is UPJUDVGSLSMLEH-LINLOXDTSA-N. The full InChI is InChI=1S/C27H36ClN6O7P.C27H35ClN5O8P.C27H43FN3O15P.C26H37FN3O9PS.C23H37N2O12P/c1-16-21-23(32-26(29)31-16)34(15-30-21)25-27(3,28)22(35)20(40-25)14-38-42(37,41-19-12-8-5-9-13-19)33-17(2)24(36)39-18-10-6-4-7-11-18;1-16(25(36)39-18-10-6-4-7-11-18)32-42(37,41-19-12-8-5-9-13-19)38-14-20-22(34)27(3,28)26(40-20)33-15-29-21-23(33)30-17(2)31-24(21)35;1-15(2)20(29)21(33)45-22-26(8,36)23(31-10-9-19(32)30-18(31)7)46-27(22,11-28)12-40-47(37,41-13-38-24(34)43-16(3)4)42-14-39-25(35)44-17(5)6;1-18-29-20(32)10-11-30(18)22-25(4,35)21(33)26(15-27,39-22)17-38-40(36,28-14-19-8-6-5-7-9-19)37-12-13-41-23(34)24(2,3)16-31;1-14-24-16(26)9-10-25(14)18-23(8,30)17(27)15(37-18)11-34-38(31,35-12-32-19(28)21(2,3)4)36-13-33-20(29)22(5,6)7/h5,8-9,12-13,15,17-18,20,22,25,35H,4,6-7,10-11,14H2,1-3H3,(H,33,37)(H2,29,31,32);5,8-9,12-13,15-16,18,20,22,26,34H,4,6-7,10-11,14H2,1-3H3,(H,32,37)(H,30,31,35);9-10,15-17,20,22-23,36H,7,11-14,29H2,1-6,8H3,(H,30,32);5-11,21-22,31,33,35H,1,12-17H2,2-4H3,(H,28,36)(H,29,32);9-10,15,17-18,27,30H,1,11-13H2,2-8H3,(H,24,26)/t17?,20-,22-,25-,27-,42?;16?,20-,22-,26-,27-,42?;20?,22-,23+,26+,27+;21-,22+,25+,26+,40?;15-,17-,18-,23-/m11001/s1.

What are the key properties of S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate?

S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate has a molecular weight of 3128.85 g/mol, XLogP of 13.36, 60 rotatable bonds, 17 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for S-[2-[(benzylamino)-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate;[(2R,3S,4R,5R)-2-[bis(propan-2-yloxycarbonyloxymethoxy)phosphoryloxymethyl]-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-3-yl] 2-amino-3-methylbutanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-5-(2-amino-6-methylpurin-9-yl)-4-chloro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4R,5R)-4-chloro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 161156717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).