[(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate

C32H37NO11 — CID 6709346

About [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate

[(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (PubChem CID 6709346) has the molecular formula C32H37NO11 and a molecular weight of 611.64 g/mol. Its IUPAC name is [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
• PubChem CID: 6709346
• Molecular Formula: C32H37NO11
• Molecular Weight: 611.64 g/mol
• Exact Mass: 611.24
• IUPAC Name: [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
• SMILES: CO[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](OC(C)=O)C(=O)C=CC(=O)CCCOC[C@@H](CO)OCc1ccccc1
• InChI: InChI=1S/C32H37NO11/c1-22(35)44-29(30(40-2)31(38)33-27(21-43-32(33)39)24-12-7-4-8-13-24)28(37)16-15-25(36)14-9-17-41-20-26(18-34)42-19-23-10-5-3-6-11-23/h3-8,10-13,15-16,26-27,29-30,34H,9,14,17-21H2,1-2H3/t26-,27+,29+,30-/m1/s1
• InChIKey: RWRXCWDHTURNGX-IICWPQHPSA-N
• XLogP: 2.72
• TPSA: 154.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.64
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?

The IUPAC name of [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (CID 6709346) is [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate.

What is the SMILES notation for [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?

The canonical SMILES for [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate is CO[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H](OC(C)=O)C(=O)C=CC(=O)CCCOC[C@@H](CO)OCc1ccccc1.

What is the InChIKey of [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?

The InChIKey is RWRXCWDHTURNGX-IICWPQHPSA-N. The full InChI is InChI=1S/C32H37NO11/c1-22(35)44-29(30(40-2)31(38)33-27(21-43-32(33)39)24-12-7-4-8-13-24)28(37)16-15-25(36)14-9-17-41-20-26(18-34)42-19-23-10-5-3-6-11-23/h3-8,10-13,15-16,26-27,29-30,34H,9,14,17-21H2,1-2H3/t26-,27+,29+,30-/m1/s1.

What are the key properties of [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?

[(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate has a molecular weight of 611.64 g/mol, XLogP of 2.72, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methoxy-1,4,7-trioxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate is sourced from PubChem (CID 6709346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).