potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate

C40H31F6KN4O14P2 — CID 158557472

About potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate

potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate (PubChem CID 158557472) has the molecular formula C40H31F6KN4O14P2 and a molecular weight of 1006.74 g/mol. Its IUPAC name is potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate
• PubChem CID: 158557472
• Molecular Formula: C40H31F6KN4O14P2
• Molecular Weight: 1006.74 g/mol
• Exact Mass: 1006.09
• IUPAC Name: potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate
• SMILES: O=C1O[C@H](COP(=O)(O)O)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1.O=C1O[C@H](COP(=O)([O-])O)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1.[K+]
• InChI: InChI=1S/2C20H16F3N2O7P.K/c2*21-20(22,23)16-4-2-1-3-14(16)17-7-11-5-6-12(8-15(11)18(26)24-17)25-9-13(32-19(25)27)10-31-33(28,29)30;/h2*1-8,13H,9-10H2,(H,24,26)(H2,28,29,30);/q;;+1/p-1/t2*13-;/m00./s1
• InChIKey: IAVNWUFVLWTSFA-DHHADUQMSA-M
• XLogP: 3.67
• TPSA: 261.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.74
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	5
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 potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

The IUPAC name of potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate (CID 158557472) is potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate.

What is the SMILES notation for potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

The canonical SMILES for potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate is O=C1O[C@H](COP(=O)(O)O)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1.O=C1O[C@H](COP(=O)([O-])O)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1.[K+].

What is the InChIKey of potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

The InChIKey is IAVNWUFVLWTSFA-DHHADUQMSA-M. The full InChI is InChI=1S/2C20H16F3N2O7P.K/c2*21-20(22,23)16-4-2-1-3-14(16)17-7-11-5-6-12(8-15(11)18(26)24-17)25-9-13(32-19(25)27)10-31-33(28,29)30;/h2*1-8,13H,9-10H2,(H,24,26)(H2,28,29,30);/q;;+1/p-1/t2*13-;/m00./s1.

What are the key properties of potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate?

potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate has a molecular weight of 1006.74 g/mol, XLogP of 3.67, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate;[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl hydrogen phosphate is sourced from PubChem (CID 158557472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).