cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

C145H187F3N30O44P6S6 — CID 159740594

About cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate (PubChem CID 159740594) has the molecular formula C145H187F3N30O44P6S6 and a molecular weight of 3489.50 g/mol. Its IUPAC name is cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate.

Molecular Properties

• Compound Name: cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
• PubChem CID: 159740594
• Molecular Formula: C145H187F3N30O44P6S6
• Molecular Weight: 3489.50 g/mol
• Exact Mass: 3487.00
• IUPAC Name: cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate
• SMILES: C=C1N=C(N)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.COC(=O)C(C)NP(=S)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12.Cc1nc2c(ncn2[C@@H]2O[C@@](COP(=S)(NC(C)C(=O)OC(C)C)Oc3ccccc3)(N=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@@]2(C)O)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@H]2F)c(=O)[nH]1
• InChI: InChI=1S/C26H35FN3O7PS.C26H30N5O8PS.C24H32N5O8PS.C23H29FN5O7PS.C23H32FN4O6PS.C23H29N8O8PS/c1-17(24(33)35-19-10-6-4-7-11-19)29-38(39,37-20-12-8-5-9-13-20)34-16-21-23(32)26(3,27)25(36-21)30-15-14-22(31)28-18(30)2;1-14(24(34)36-4)30-40(41,39-18-11-7-9-16-8-5-6-10-17(16)18)37-12-19-21(32)26(3,35)25(38-19)31-13-27-20-22(31)28-15(2)29-23(20)33;1-13(2)35-22(32)14(3)28-38(39,37-16-9-7-6-8-10-16)34-11-17-19(30)24(5,33)23(36-17)29-12-25-18-20(29)26-15(4)27-21(18)31;1-12(2)34-23(32)13(3)28-37(38,36-15-8-6-5-7-9-15)33-10-16-19(30)17(24)22(35-16)29-11-25-18-20(29)26-14(4)27-21(18)31;1-14(2)32-21(30)15(3)27-35(36,34-17-9-7-6-8-10-17)31-13-18-20(29)23(5,24)22(33-18)28-12-11-19(25)26-16(28)4;1-12(2)37-22(35)13(3)28-40(41,39-15-8-6-5-7-9-15)36-10-23(29-30-24)18(33)17(32)21(38-23)31-11-25-16-19(31)26-14(4)27-20(16)34/h5,8-9,12-15,17,19,21,23,25,32H,2,4,6-7,10-11,16H2,1,3H3,(H,28,31)(H,29,39);5-11,13-14,19,21,25,32,35H,12H2,1-4H3,(H,30,41)(H,28,29,33);6-10,12-14,17,19,23,30,33H,11H2,1-5H3,(H,28,39)(H,26,27,31);5-9,11-13,16-17,19,22,30H,10H2,1-4H3,(H,28,38)(H,26,27,31);6-12,14-15,18,20,22,29H,4,13H2,1-3,5H3,(H2,25,26)(H,27,36);5-9,11-13,17-18,21,32-33H,10H2,1-4H3,(H,28,41)(H,26,27,34)/t17?,21-,23-,25-,26-,38?;14?,19-,21-,25-,26-,40?;14?,17-,19-,23-,24-,38?;13?,16-,17-,19-,22-,37?;15?,18-,20-,22-,23-,35?;13?,17-,18+,21-,23-,40?/m111111/s1
• InChIKey: NCKGKNNELXOIPR-XRKXGHSISA-N
• XLogP: 14.06
• TPSA: 955.19 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 67
• Rotatable Bonds: 60
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3489.50
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	67

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

The IUPAC name of cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate (CID 159740594) is cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate.

What is the SMILES notation for cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

The canonical SMILES for cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate is C=C1N=C(N)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=S)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.COC(=O)C(C)NP(=S)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@](C)(O)[C@@H]1O)Oc1cccc2ccccc12.Cc1nc2c(ncn2[C@@H]2O[C@@](COP(=S)(NC(C)C(=O)OC(C)C)Oc3ccccc3)(N=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@@]2(C)O)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=S)(NC(C)C(=O)OC(C)C)Oc3ccccc3)[C@@H](O)[C@H]2F)c(=O)[nH]1.

What is the InChIKey of cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

The InChIKey is NCKGKNNELXOIPR-XRKXGHSISA-N. The full InChI is InChI=1S/C26H35FN3O7PS.C26H30N5O8PS.C24H32N5O8PS.C23H29FN5O7PS.C23H32FN4O6PS.C23H29N8O8PS/c1-17(24(33)35-19-10-6-4-7-11-19)29-38(39,37-20-12-8-5-9-13-20)34-16-21-23(32)26(3,27)25(36-21)30-15-14-22(31)28-18(30)2;1-14(24(34)36-4)30-40(41,39-18-11-7-9-16-8-5-6-10-17(16)18)37-12-19-21(32)26(3,35)25(38-19)31-13-27-20-22(31)28-15(2)29-23(20)33;1-13(2)35-22(32)14(3)28-38(39,37-16-9-7-6-8-10-16)34-11-17-19(30)24(5,33)23(36-17)29-12-25-18-20(29)26-15(4)27-21(18)31;1-12(2)34-23(32)13(3)28-37(38,36-15-8-6-5-7-9-15)33-10-16-19(30)17(24)22(35-16)29-11-25-18-20(29)26-14(4)27-21(18)31;1-14(2)32-21(30)15(3)27-35(36,34-17-9-7-6-8-10-17)31-13-18-20(29)23(5,24)22(33-18)28-12-11-19(25)26-16(28)4;1-12(2)37-22(35)13(3)28-40(41,39-15-8-6-5-7-9-15)36-10-23(29-30-24)18(33)17(32)21(38-23)31-11-25-16-19(31)26-14(4)27-20(16)34/h5,8-9,12-15,17,19,21,23,25,32H,2,4,6-7,10-11,16H2,1,3H3,(H,28,31)(H,29,39);5-11,13-14,19,21,25,32,35H,12H2,1-4H3,(H,30,41)(H,28,29,33);6-10,12-14,17,19,23,30,33H,11H2,1-5H3,(H,28,39)(H,26,27,31);5-9,11-13,16-17,19,22,30H,10H2,1-4H3,(H,28,38)(H,26,27,31);6-12,14-15,18,20,22,29H,4,13H2,1-3,5H3,(H2,25,26)(H,27,36);5-9,11-13,17-18,21,32-33H,10H2,1-4H3,(H,28,41)(H,26,27,34)/t17?,21-,23-,25-,26-,38?;14?,19-,21-,25-,26-,40?;14?,17-,19-,23-,24-,38?;13?,16-,17-,19-,22-,37?;15?,18-,20-,22-,23-,35?;13?,17-,18+,21-,23-,40?/m111111/s1.

What are the key properties of cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate?

cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate has a molecular weight of 3489.50 g/mol, XLogP of 14.06, 60 rotatable bonds, 21 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;methyl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3S,4R,5R)-2-azido-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate;propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate is sourced from PubChem (CID 159740594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).