[(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate

C33H39NO10 — CID 6709255

About [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate

[(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate (PubChem CID 6709255) has the molecular formula C33H39NO10 and a molecular weight of 609.67 g/mol. Its IUPAC name is [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate
• PubChem CID: 6709255
• Molecular Formula: C33H39NO10
• Molecular Weight: 609.67 g/mol
• Exact Mass: 609.26
• IUPAC Name: [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate
• SMILES: CC(=O)O[C@@H](C(=O)C=CC(=O)CCCOCCOCCO)[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C33H39NO10/c1-24(36)44-31(30(38)15-14-28(37)13-8-17-41-19-20-42-18-16-35)29(22-26-11-6-3-7-12-26)32(39)34-27(23-43-33(34)40)21-25-9-4-2-5-10-25/h2-7,9-12,14-15,27,29,31,35H,8,13,16-23H2,1H3/t27-,29-,31-/m1/s1
• InChIKey: VEQGJDLHFGPGPC-MPGAWZFDSA-N
• XLogP: 2.87
• TPSA: 145.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.67
LogP ≤ 5	2.87
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,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate?

The IUPAC name of [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate (CID 6709255) is [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate.

What is the SMILES notation for [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate?

The canonical SMILES for [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate is CC(=O)O[C@@H](C(=O)C=CC(=O)CCCOCCOCCO)[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.

What is the InChIKey of [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate?

The InChIKey is VEQGJDLHFGPGPC-MPGAWZFDSA-N. The full InChI is InChI=1S/C33H39NO10/c1-24(36)44-31(30(38)15-14-28(37)13-8-17-41-19-20-42-18-16-35)29(22-26-11-6-3-7-12-26)32(39)34-27(23-43-33(34)40)21-25-9-4-2-5-10-25/h2-7,9-12,14-15,27,29,31,35H,8,13,16-23H2,1H3/t27-,29-,31-/m1/s1.

What are the key properties of [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate?

[(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate has a molecular weight of 609.67 g/mol, XLogP of 2.87, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-2-benzyl-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-10-[2-(2-hydroxyethoxy)ethoxy]-1,4,7-trioxodec-5-en-3-yl] acetate is sourced from PubChem (CID 6709255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).