(4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one

C25H31NO9 — CID 23307715

About (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one (PubChem CID 23307715) has the molecular formula C25H31NO9 and a molecular weight of 489.52 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one
• PubChem CID: 23307715
• Molecular Formula: C25H31NO9
• Molecular Weight: 489.52 g/mol
• Exact Mass: 489.20
• IUPAC Name: (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one
• SMILES: CO[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1OC(=CCCOCCOCCO)C=CC1=O
• InChI: InChI=1S/C25H31NO9/c1-31-23(24(29)26-19(17-34-25(26)30)16-18-6-3-2-4-7-18)22-21(28)10-9-20(35-22)8-5-12-32-14-15-33-13-11-27/h2-4,6-10,19,22-23,27H,5,11-17H2,1H3/t19-,22-,23-/m1/s1
• InChIKey: PPOQQYJQEULJRT-UEVCKROQSA-N
• XLogP: 1.42
• TPSA: 120.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.52
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one (CID 23307715) is (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one is CO[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H]1OC(=CCCOCCOCCO)C=CC1=O.

What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one?

The InChIKey is PPOQQYJQEULJRT-UEVCKROQSA-N. The full InChI is InChI=1S/C25H31NO9/c1-31-23(24(29)26-19(17-34-25(26)30)16-18-6-3-2-4-7-18)22-21(28)10-9-20(35-22)8-5-12-32-14-15-33-13-11-27/h2-4,6-10,19,22-23,27H,5,11-17H2,1H3/t19-,22-,23-/m1/s1.

What are the key properties of (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one has a molecular weight of 489.52 g/mol, XLogP of 1.42, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]-2-methoxyacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23307715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).