[(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate

C32H36BrNO10 — CID 6709285

IUPAC[(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate
SMILESCO[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](OC(C)=O)c1cc(Br)c(CCCOC[C@@H](CO)OCc2ccccc2)o1
InChIInChI=1S/C32H36BrNO10/c1-21(36)43-29(30(39-2)31(37)34-26(20-42-32(34)38)23-12-7-4-8-13-23)28-16-25(33)27(44-28)14-9-15-40-19-24(17-35)41-18-22-10-5-3-6-11-22/h3-8,10-13,16,24,26,29-30,35H,9,14-15,17-20H2,1-2H3/t24-,26-,29-,30+/m1/s1
InChIKeyCJSIPJHLSFAODP-TZZSCHNBSA-N
MW674.54 g/mol
LogP4.91
Rot. Bonds16

About [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate

[(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate (PubChem CID 6709285) has the molecular formula C32H36BrNO10 and a molecular weight of 674.54 g/mol. Its IUPAC name is [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate.

Molecular Properties

Compound Name[(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate
PubChem CID6709285
Molecular FormulaC32H36BrNO10
Molecular Weight674.54 g/mol
Exact Mass673.15
IUPAC Name[(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate
SMILESCO[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](OC(C)=O)c1cc(Br)c(CCCOC[C@@H](CO)OCc2ccccc2)o1
InChIInChI=1S/C32H36BrNO10/c1-21(36)43-29(30(39-2)31(37)34-26(20-42-32(34)38)23-12-7-4-8-13-23)28-16-25(33)27(44-28)14-9-15-40-19-24(17-35)41-18-22-10-5-3-6-11-22/h3-8,10-13,16,24,26,29-30,35H,9,14-15,17-20H2,1-2H3/t24-,26-,29-,30+/m1/s1
InChIKeyCJSIPJHLSFAODP-TZZSCHNBSA-N
XLogP4.91
TPSA133.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate?
The IUPAC name of [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate (CID 6709285) is [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate.
What is the SMILES notation for [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate?
The canonical SMILES for [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate is CO[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](OC(C)=O)c1cc(Br)c(CCCOC[C@@H](CO)OCc2ccccc2)o1.
What is the InChIKey of [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate?
The InChIKey is CJSIPJHLSFAODP-TZZSCHNBSA-N. The full InChI is InChI=1S/C32H36BrNO10/c1-21(36)43-29(30(39-2)31(37)34-26(20-42-32(34)38)23-12-7-4-8-13-23)28-16-25(33)27(44-28)14-9-15-40-19-24(17-35)41-18-22-10-5-3-6-11-22/h3-8,10-13,16,24,26,29-30,35H,9,14-15,17-20H2,1-2H3/t24-,26-,29-,30+/m1/s1.
What are the key properties of [(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate?
[(1S,2S)-1-[4-bromo-5-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate has a molecular weight of 674.54 g/mol, XLogP of 4.91, 16 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-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]furan-2-yl]-2-methoxy-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl] acetate is sourced from PubChem (CID 6709285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).