[(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate

C36H45NO10 — CID 6709198

About [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate

[(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 6709198) has the molecular formula C36H45NO10 and a molecular weight of 651.75 g/mol. Its IUPAC name is [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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: [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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: 6709198
• Molecular Formula: C36H45NO10
• Molecular Weight: 651.75 g/mol
• Exact Mass: 651.30
• IUPAC Name: [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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=C(C(=O)CCCOC[C@@H](CO)OCc1ccccc1)c1cccc(C)c1)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C36H45NO10/c1-23(2)31-22-46-36(43)37(31)35(42)25(4)34(47-26(5)39)33(41)18-30(28-14-9-11-24(3)17-28)32(40)15-10-16-44-21-29(19-38)45-20-27-12-7-6-8-13-27/h6-9,11-14,17-18,23,25,29,31,34,38H,10,15-16,19-22H2,1-5H3/t25-,29+,31+,34-/m0/s1
• InChIKey: ICASFENAUCRALM-JVHVEQPWSA-N
• XLogP: 4.46
• TPSA: 145.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	651.75
LogP ≤ 5	4.46
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 [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate (CID 6709198) is [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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=C(C(=O)CCCOC[C@@H](CO)OCc1ccccc1)c1cccc(C)c1)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.

What is the InChIKey of [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 ICASFENAUCRALM-JVHVEQPWSA-N. The full InChI is InChI=1S/C36H45NO10/c1-23(2)31-22-46-36(43)37(31)35(42)25(4)34(47-26(5)39)33(41)18-30(28-14-9-11-24(3)17-28)32(40)15-10-16-44-21-29(19-38)45-20-27-12-7-6-8-13-27/h6-9,11-14,17-18,23,25,29,31,34,38H,10,15-16,19-22H2,1-5H3/t25-,29+,31+,34-/m0/s1.

What are the key properties of [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-1,4,7-trioxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]dec-5-en-3-yl] acetate?

[(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 651.75 g/mol, XLogP of 4.46, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S)-10-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]-2-methyl-6-(3-methylphenyl)-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 6709198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).