sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate

C15H16N5NaO9S — CID 173367621

About sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate

sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate (PubChem CID 173367621) has the molecular formula C15H16N5NaO9S and a molecular weight of 465.38 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate.

Molecular Properties

• Compound Name: sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate
• PubChem CID: 173367621
• Molecular Formula: C15H16N5NaO9S
• Molecular Weight: 465.38 g/mol
• Exact Mass: 465.06
• IUPAC Name: sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate
• SMILES: CON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CC(OC)C(=O)O2)C1=O)c1csc(N)n1.[Na+]
• InChI: InChI=1S/C15H17N5O9S.Na/c1-26-8-3-15(13(24)25,29-12(8)23)20-11(22)6(4-28-20)17-10(21)9(19-27-2)7-5-30-14(16)18-7;/h5-6,8H,3-4H2,1-2H3,(H2,16,18)(H,17,21)(H,24,25);/q;+1/p-1/t6-,8?,15?;/m0./s1
• InChIKey: GYPMIOXMUTUIIZ-XZMPOXJASA-M
• XLogP: -6.25
• TPSA: 194.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.38
LogP ≤ 5	-6.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?

The IUPAC name of sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate (CID 173367621) is sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate.

What is the SMILES notation for sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?

The canonical SMILES for sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate is CON=C(C(=O)N[C@H]1CON(C2(C(=O)[O-])CC(OC)C(=O)O2)C1=O)c1csc(N)n1.[Na+].

What is the InChIKey of sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?

The InChIKey is GYPMIOXMUTUIIZ-XZMPOXJASA-M. The full InChI is InChI=1S/C15H17N5O9S.Na/c1-26-8-3-15(13(24)25,29-12(8)23)20-11(22)6(4-28-20)17-10(21)9(19-27-2)7-5-30-14(16)18-7;/h5-6,8H,3-4H2,1-2H3,(H2,16,18)(H,17,21)(H,24,25);/q;+1/p-1/t6-,8?,15?;/m0./s1.

What are the key properties of sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate?

sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate has a molecular weight of 465.38 g/mol, XLogP of -6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[(4S)-4-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-4-methoxy-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 173367621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).