propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate

C150H185F10N30O30P5S5 — CID 157456479

About propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate

propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate (PubChem CID 157456479) has the molecular formula C150H185F10N30O30P5S5 and a molecular weight of 3393.49 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate
• PubChem CID: 157456479
• Molecular Formula: C150H185F10N30O30P5S5
• Molecular Weight: 3393.49 g/mol
• Exact Mass: 3391.10
• IUPAC Name: propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate
• SMILES: Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(COP(=S)(N[C@@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(COP(=S)(N[C@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(CO[P@@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(CO[P@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(CO[P@](=S)(N[C@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1
• InChI: InChI=1S/5C30H37F2N6O6PS/c5*1-17(2)42-26(39)18(3)36-45(46,44-22-14-10-12-20-11-8-9-13-21(20)22)41-15-30(32)27(40)29(5,31)28(43-30)38-16-33-23-24(37(6)7)34-19(4)35-25(23)38/h5*8-14,16-18,27-28,40H,15H2,1-7H3,(H,36,46)/t18-,27+,28-,29-,30-,45?;18-,27+,28-,29-,30-,45-;18-,27-,28+,29+,30+,45?;18-,27-,28+,29+,30+,45+;18-,27-,28+,29+,30+,45-/m11000/s1
• InChIKey: BTKKARHXPKOENA-NOTZDQAGSA-N
• XLogP: 24.44
• TPSA: 665.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 60
• Rotatable Bonds: 55
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3393.49
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate?

The IUPAC name of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate (CID 157456479) is propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate.

What is the SMILES notation for propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate?

The canonical SMILES for propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate is Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(COP(=S)(N[C@@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(COP(=S)(N[C@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(CO[P@@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(CO[P@](=S)(N[C@@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](F)(CO[P@](=S)(N[C@H](C)C(=O)OC(C)C)Oc4cccc5ccccc45)[C@@H](O)[C@@]3(C)F)c2n1.

What is the InChIKey of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate?

The InChIKey is BTKKARHXPKOENA-NOTZDQAGSA-N. The full InChI is InChI=1S/5C30H37F2N6O6PS/c5*1-17(2)42-26(39)18(3)36-45(46,44-22-14-10-12-20-11-8-9-13-21(20)22)41-15-30(32)27(40)29(5,31)28(43-30)38-16-33-23-24(37(6)7)34-19(4)35-25(23)38/h5*8-14,16-18,27-28,40H,15H2,1-7H3,(H,36,46)/t18-,27+,28-,29-,30-,45?;18-,27+,28-,29-,30-,45-;18-,27-,28+,29+,30+,45?;18-,27-,28+,29+,30+,45+;18-,27-,28+,29+,30+,45-/m11000/s1.

What are the key properties of propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate?

propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate has a molecular weight of 3393.49 g/mol, XLogP of 24.44, 55 rotatable bonds, 10 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[[(2S,3S,4R,5R)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphinothioyl]amino]propanoate is sourced from PubChem (CID 157456479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).