(4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C25H31NO8 — CID 23307612

About (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 23307612) has the molecular formula C25H31NO8 and a molecular weight of 473.52 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 23307612
• Molecular Formula: C25H31NO8
• Molecular Weight: 473.52 g/mol
• Exact Mass: 473.20
• IUPAC Name: (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)[C@@H]1OC(=CCCOCCOCCO)C=CC1=O
• InChI: InChI=1S/C25H31NO8/c1-17(24(29)26-18(2)23(34-25(26)30)19-7-4-3-5-8-19)22-21(28)11-10-20(33-22)9-6-13-31-15-16-32-14-12-27/h3-5,7-11,17-18,22-23,27H,6,12-16H2,1-2H3/t17-,18-,22+,23-/m1/s1
• InChIKey: RYMZMCLZTORFKS-FJDVCKPCSA-N
• XLogP: 2.55
• TPSA: 111.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.52
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 23307612) is (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)[C@@H]1OC(=CCCOCCOCCO)C=CC1=O.

What is the InChIKey of (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The InChIKey is RYMZMCLZTORFKS-FJDVCKPCSA-N. The full InChI is InChI=1S/C25H31NO8/c1-17(24(29)26-18(2)23(34-25(26)30)19-7-4-3-5-8-19)22-21(28)11-10-20(33-22)9-6-13-31-15-16-32-14-12-27/h3-5,7-11,17-18,22-23,27H,6,12-16H2,1-2H3/t17-,18-,22+,23-/m1/s1.

What are the key properties of (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

(4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 473.52 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-3-[(2R)-2-[(2S)-6-[3-[2-(2-hydroxyethoxy)ethoxy]propylidene]-3-oxopyran-2-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23307612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).