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

C35H43NO10 — CID 135781080

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

[(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (PubChem CID 135781080) has the molecular formula C35H43NO10 and a molecular weight of 637.73 g/mol. Its IUPAC name is [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
• PubChem CID: 135781080
• Molecular Formula: C35H43NO10
• Molecular Weight: 637.73 g/mol
• Exact Mass: 637.29
• IUPAC Name: [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate
• SMILES: CC(=O)O[C@H](C(=O)C=CC(=O)CCCOC[C@@H](CO)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C35H43NO10/c1-24(2)31-23-45-35(42)36(31)34(41)30(19-26-11-6-4-7-12-26)33(46-25(3)38)32(40)17-16-28(39)15-10-18-43-22-29(20-37)44-21-27-13-8-5-9-14-27/h4-9,11-14,16-17,24,29-31,33,37H,10,15,18-23H2,1-3H3/t29-,30-,31-,33+/m1/s1
• InChIKey: GCTSLXPMHYVDST-BEMMEUOBSA-N
• XLogP: 3.85
• TPSA: 145.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.73
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?

The IUPAC name of [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (CID 135781080) is [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate.

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

The canonical SMILES for [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate is CC(=O)O[C@H](C(=O)C=CC(=O)CCCOC[C@@H](CO)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.

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

The InChIKey is GCTSLXPMHYVDST-BEMMEUOBSA-N. The full InChI is InChI=1S/C35H43NO10/c1-24(2)31-23-45-35(42)36(31)34(41)30(19-26-11-6-4-7-12-26)33(46-25(3)38)32(40)17-16-28(39)15-10-18-43-22-29(20-37)44-21-27-13-8-5-9-14-27/h4-9,11-14,16-17,24,29-31,33,37H,10,15,18-23H2,1-3H3/t29-,30-,31-,33+/m1/s1.

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

[(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate has a molecular weight of 637.73 g/mol, XLogP of 3.85, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-2-benzyl-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate is sourced from PubChem (CID 135781080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).