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

C18H14FN6Na2O7P — CID 54586062

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

disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate (PubChem CID 54586062) has the molecular formula C18H14FN6Na2O7P and a molecular weight of 522.30 g/mol. Its IUPAC name is disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate.

Molecular Properties

• Compound Name: disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate
• PubChem CID: 54586062
• Molecular Formula: C18H14FN6Na2O7P
• Molecular Weight: 522.30 g/mol
• Exact Mass: 522.04
• IUPAC Name: disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate
• SMILES: Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)P(=O)([O-])[O-])OC4=O)cc3F)cn2)n1.[Na+].[Na+]
• InChI: InChI=1S/C18H16FN6O7P.2Na/c1-24-22-16(21-23-24)15-5-2-10(7-20-15)13-4-3-11(6-14(13)19)25-8-12(32-17(25)26)9-31-18(27)33(28,29)30;;/h2-7,12H,8-9H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t12-;;/m1../s1
• InChIKey: QRNHLVAZEMQXFD-CURYUGHLSA-L
• XLogP: -5.54
• TPSA: 175.52 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.30
LogP ≤ 5	-5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate?

The IUPAC name of disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate (CID 54586062) is disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate.

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

The canonical SMILES for disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)P(=O)([O-])[O-])OC4=O)cc3F)cn2)n1.[Na+].[Na+].

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

The InChIKey is QRNHLVAZEMQXFD-CURYUGHLSA-L. The full InChI is InChI=1S/C18H16FN6O7P.2Na/c1-24-22-16(21-23-24)15-5-2-10(7-20-15)13-4-3-11(6-14(13)19)25-8-12(32-17(25)26)9-31-18(27)33(28,29)30;;/h2-7,12H,8-9H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t12-;;/m1../s1.

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

disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate has a molecular weight of 522.30 g/mol, XLogP of -5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate is sourced from PubChem (CID 54586062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).