disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate

C17H14FN6Na2O6P — CID 58917772

About disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate

disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate (PubChem CID 58917772) has the molecular formula C17H14FN6Na2O6P and a molecular weight of 494.29 g/mol. Its IUPAC name is disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate.

Molecular Properties

• Compound Name: disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
• PubChem CID: 58917772
• Molecular Formula: C17H14FN6Na2O6P
• Molecular Weight: 494.29 g/mol
• Exact Mass: 494.05
• IUPAC Name: disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
• SMILES: Cn1nnnc1-c1ccc(-c2ccc(N3C[C@H](COP(=O)([O-])[O-])OC3=O)cc2F)cn1.[Na+].[Na+]
• InChI: InChI=1S/C17H16FN6O6P.2Na/c1-23-16(20-21-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28;;/h2-7,12H,8-9H2,1H3,(H2,26,27,28);;/q;2*+1/p-2/t12-;;/m1../s1
• InChIKey: VLDJLFTVSCWSQT-CURYUGHLSA-L
• XLogP: -5.74
• TPSA: 158.45 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.29
LogP ≤ 5	-5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

The IUPAC name of disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate (CID 58917772) is disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate.

What is the SMILES notation for disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

The canonical SMILES for disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate is Cn1nnnc1-c1ccc(-c2ccc(N3C[C@H](COP(=O)([O-])[O-])OC3=O)cc2F)cn1.[Na+].[Na+].

What is the InChIKey of disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

The InChIKey is VLDJLFTVSCWSQT-CURYUGHLSA-L. The full InChI is InChI=1S/C17H16FN6O6P.2Na/c1-23-16(20-21-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28;;/h2-7,12H,8-9H2,1H3,(H2,26,27,28);;/q;2*+1/p-2/t12-;;/m1../s1.

What are the key properties of disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate has a molecular weight of 494.29 g/mol, XLogP of -5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[(5R)-3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate is sourced from PubChem (CID 58917772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).