propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate

C26H28F4N3O9P — CID 162744404

About propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate (PubChem CID 162744404) has the molecular formula C26H28F4N3O9P and a molecular weight of 633.49 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate
• PubChem CID: 162744404
• Molecular Formula: C26H28F4N3O9P
• Molecular Weight: 633.49 g/mol
• Exact Mass: 633.15
• IUPAC Name: propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate
• SMILES: CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1cccc2ccccc12)O[C@@H]([C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)C(F)(F)F
• InChI: InChI=1S/C26H28F4N3O9P/c1-13(2)39-24(36)14(3)32-43(38,41-19-10-6-8-15-7-4-5-9-16(15)19)42-22(26(28,29)30)21-18(34)11-20(40-21)33-12-17(27)23(35)31-25(33)37/h4-10,12-14,18,20-22,34H,11H2,1-3H3,(H,32,38)(H,31,35,37)/t14-,18-,20+,21-,22-,43-/m0/s1
• InChIKey: VKTBEEVMPHYQBX-NFRGKPIVSA-N
• XLogP: 3.54
• TPSA: 158.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.49
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate?

The IUPAC name of propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate (CID 162744404) is propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate.

What is the SMILES notation for propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate?

The canonical SMILES for propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate is CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1cccc2ccccc12)O[C@@H]([C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)C(F)(F)F.

What is the InChIKey of propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate?

The InChIKey is VKTBEEVMPHYQBX-NFRGKPIVSA-N. The full InChI is InChI=1S/C26H28F4N3O9P/c1-13(2)39-24(36)14(3)32-43(38,41-19-10-6-8-15-7-4-5-9-16(15)19)42-22(26(28,29)30)21-18(34)11-20(40-21)33-12-17(27)23(35)31-25(33)37/h4-10,12-14,18,20-22,34H,11H2,1-3H3,(H,32,38)(H,31,35,37)/t14-,18-,20+,21-,22-,43-/m0/s1.

What are the key properties of propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate?

propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate has a molecular weight of 633.49 g/mol, XLogP of 3.54, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(1S)-2,2,2-trifluoro-1-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]phosphoryl]amino]propanoate is sourced from PubChem (CID 162744404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).