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

C20H18FN6Na2O6P — CID 140651593

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

disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate (PubChem CID 140651593) has the molecular formula C20H18FN6Na2O6P and a molecular weight of 534.35 g/mol. Its IUPAC name is disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate.

Molecular Properties

• Compound Name: disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
• PubChem CID: 140651593
• Molecular Formula: C20H18FN6Na2O6P
• Molecular Weight: 534.35 g/mol
• Exact Mass: 534.08
• IUPAC Name: disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
• SMILES: Cn1nnnc1N1Cc2ccc(-c3ccc(N4C[C@H](COP(=O)([O-])[O-])OC4=O)cc3F)cc2C1.[Na+].[Na+]
• InChI: InChI=1S/C20H20FN6O6P.2Na/c1-25-19(22-23-24-25)26-8-13-3-2-12(6-14(13)9-26)17-5-4-15(7-18(17)21)27-10-16(33-20(27)28)11-32-34(29,30)31;;/h2-7,16H,8-11H2,1H3,(H2,29,30,31);;/q;2*+1/p-2/t16-;;/m1../s1
• InChIKey: OAWHVGXGCRZPBK-GGMCWBHBSA-L
• XLogP: -5.29
• TPSA: 148.80 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.35
LogP ≤ 5	-5.29
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-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate?

The IUPAC name of disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate (CID 140651593) is disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate.

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

The canonical SMILES for disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate is Cn1nnnc1N1Cc2ccc(-c3ccc(N4C[C@H](COP(=O)([O-])[O-])OC4=O)cc3F)cc2C1.[Na+].[Na+].

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

The InChIKey is OAWHVGXGCRZPBK-GGMCWBHBSA-L. The full InChI is InChI=1S/C20H20FN6O6P.2Na/c1-25-19(22-23-24-25)26-8-13-3-2-12(6-14(13)9-26)17-5-4-15(7-18(17)21)27-10-16(33-20(27)28)11-32-34(29,30)31;;/h2-7,16H,8-11H2,1H3,(H2,29,30,31);;/q;2*+1/p-2/t16-;;/m1../s1.

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

disodium;[(5R)-3-[3-fluoro-4-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate has a molecular weight of 534.35 g/mol, XLogP of -5.29, 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-[2-(1-methyltetrazol-5-yl)-1,3-dihydroisoindol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate is sourced from PubChem (CID 140651593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).