sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate

C30H31F2N5NaO11P — CID 23709140

About sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate

sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate (PubChem CID 23709140) has the molecular formula C30H31F2N5NaO11P and a molecular weight of 729.56 g/mol. Its IUPAC name is sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate
• PubChem CID: 23709140
• Molecular Formula: C30H31F2N5NaO11P
• Molecular Weight: 729.56 g/mol
• Exact Mass: 729.16
• IUPAC Name: sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate
• SMILES: CC(=O)NCC1CN(c2ccc(OCC3(OP(=O)([O-])O)CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1.[Na+]
• InChI: InChI=1S/C30H32F2N5O11P.Na/c1-16(38)33-12-19-13-37(29(42)47-19)18-4-5-24(22(31)10-18)46-15-30(48-49(43,44)45)6-8-35(9-7-30)27-23(32)11-20-25(39)21(28(40)41)14-36(17-2-3-17)26(20)34-27;/h4-5,10-11,14,17,19H,2-3,6-9,12-13,15H2,1H3,(H,33,38)(H,40,41)(H2,43,44,45);/q;+1/p-1
• InChIKey: GDSUCXHRMFYAFP-UHFFFAOYSA-M
• XLogP: -0.93
• TPSA: 212.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.56
LogP ≤ 5	-0.93
H-Bond Donors ≤ 5	3
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 sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate?

The IUPAC name of sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate (CID 23709140) is sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate.

What is the SMILES notation for sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate?

The canonical SMILES for sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate is CC(=O)NCC1CN(c2ccc(OCC3(OP(=O)([O-])O)CCN(c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)c(F)c2)C(=O)O1.[Na+].

What is the InChIKey of sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate?

The InChIKey is GDSUCXHRMFYAFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H32F2N5O11P.Na/c1-16(38)33-12-19-13-37(29(42)47-19)18-4-5-24(22(31)10-18)46-15-30(48-49(43,44)45)6-8-35(9-7-30)27-23(32)11-20-25(39)21(28(40)41)14-36(17-2-3-17)26(20)34-27;/h4-5,10-11,14,17,19H,2-3,6-9,12-13,15H2,1H3,(H,33,38)(H,40,41)(H2,43,44,45);/q;+1/p-1.

What are the key properties of sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate?

sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate has a molecular weight of 729.56 g/mol, XLogP of -0.93, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium [4-[[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-1-(6-carboxy-8-cyclopropyl-3-fluoro-5-oxo-1,8-naphthyridin-2-yl)piperidin-4-yl] hydrogen phosphate is sourced from PubChem (CID 23709140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).