[(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate

C27H34BrNO10 — CID 6709235

About [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate

[(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate (PubChem CID 6709235) has the molecular formula C27H34BrNO10 and a molecular weight of 612.47 g/mol. Its IUPAC name is [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate.

Molecular Properties

• Compound Name: [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate
• PubChem CID: 6709235
• Molecular Formula: C27H34BrNO10
• Molecular Weight: 612.47 g/mol
• Exact Mass: 611.14
• IUPAC Name: [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate
• SMILES: CO[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)[C@H](OC(C)=O)c1cc(Br)c(CCCOCCOCCO)o1
• InChI: InChI=1S/C27H34BrNO10/c1-17-23(19-8-5-4-6-9-19)39-27(33)29(17)26(32)25(34-3)24(37-18(2)31)22-16-20(28)21(38-22)10-7-12-35-14-15-36-13-11-30/h4-6,8-9,16-17,23-25,30H,7,10-15H2,1-3H3/t17-,23-,24+,25-/m0/s1
• InChIKey: BXENSDCDRXDSPJ-FHTWRSQISA-N
• XLogP: 3.73
• TPSA: 133.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.47
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate?

The IUPAC name of [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate (CID 6709235) is [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate.

What is the SMILES notation for [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate?

The canonical SMILES for [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate is CO[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)[C@H](OC(C)=O)c1cc(Br)c(CCCOCCOCCO)o1.

What is the InChIKey of [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate?

The InChIKey is BXENSDCDRXDSPJ-FHTWRSQISA-N. The full InChI is InChI=1S/C27H34BrNO10/c1-17-23(19-8-5-4-6-9-19)39-27(33)29(17)26(32)25(34-3)24(37-18(2)31)22-16-20(28)21(38-22)10-7-12-35-14-15-36-13-11-30/h4-6,8-9,16-17,23-25,30H,7,10-15H2,1-3H3/t17-,23-,24+,25-/m0/s1.

What are the key properties of [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate?

[(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate has a molecular weight of 612.47 g/mol, XLogP of 3.73, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S)-1-[4-bromo-5-[3-[2-(2-hydroxyethoxy)ethoxy]propyl]furan-2-yl]-2-methoxy-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl] acetate is sourced from PubChem (CID 6709235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).