[(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid

C18H20F2N3O8P — CID 20813920

About [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid

[(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid (PubChem CID 20813920) has the molecular formula C18H20F2N3O8P and a molecular weight of 475.34 g/mol. Its IUPAC name is [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid.

Molecular Properties

• Compound Name: [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid
• PubChem CID: 20813920
• Molecular Formula: C18H20F2N3O8P
• Molecular Weight: 475.34 g/mol
• Exact Mass: 475.10
• IUPAC Name: [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid
• SMILES: NC(=O)[C@H]1CN(c2cc(F)c(C3=CCN(C(=O)[C@H](O)CP(=O)(O)O)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C18H20F2N3O8P/c19-11-5-10(23-7-14(16(21)25)31-18(23)27)6-12(20)15(11)9-1-3-22(4-2-9)17(26)13(24)8-32(28,29)30/h1,5-6,13-14,24H,2-4,7-8H2,(H2,21,25)(H2,28,29,30)/t13-,14-/m1/s1
• InChIKey: LGONZGKVEJNJAS-ZIAGYGMSSA-N
• XLogP: -0.07
• TPSA: 170.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.34
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid?

The IUPAC name of [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid (CID 20813920) is [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid.

What is the SMILES notation for [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid?

The canonical SMILES for [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid is NC(=O)[C@H]1CN(c2cc(F)c(C3=CCN(C(=O)[C@H](O)CP(=O)(O)O)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid?

The InChIKey is LGONZGKVEJNJAS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H20F2N3O8P/c19-11-5-10(23-7-14(16(21)25)31-18(23)27)6-12(20)15(11)9-1-3-22(4-2-9)17(26)13(24)8-32(28,29)30/h1,5-6,13-14,24H,2-4,7-8H2,(H2,21,25)(H2,28,29,30)/t13-,14-/m1/s1.

What are the key properties of [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid?

[(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid has a molecular weight of 475.34 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-3-[4-[4-[(5R)-5-carbamoyl-2-oxo-1,3-oxazolidin-3-yl]-2,6-difluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxy-3-oxopropyl]phosphonic acid is sourced from PubChem (CID 20813920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).