(4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C37H39NO8 — CID 6667795

About (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 6667795) has the molecular formula C37H39NO8 and a molecular weight of 625.72 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 6667795
• Molecular Formula: C37H39NO8
• Molecular Weight: 625.72 g/mol
• Exact Mass: 625.27
• IUPAC Name: (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](Cc1ccccc1)[C@H]1OC(=CCCOC[C@@H](CO)OCc2ccccc2)C=CC1=O
• InChI: InChI=1S/C37H39NO8/c1-26-34(29-16-9-4-10-17-29)46-37(42)38(26)36(41)32(22-27-12-5-2-6-13-27)35-33(40)20-19-30(45-35)18-11-21-43-25-31(23-39)44-24-28-14-7-3-8-15-28/h2-10,12-20,26,31-32,34-35,39H,11,21-25H2,1H3/t26-,31-,32-,34-,35-/m1/s1
• InChIKey: ZLZAFPMMAFPBHA-WXXKRRPTSA-N
• XLogP: 5.35
• TPSA: 111.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.72
LogP ≤ 5	5.35
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-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 6667795) is (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](Cc1ccccc1)[C@H]1OC(=CCCOC[C@@H](CO)OCc2ccccc2)C=CC1=O.

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

The InChIKey is ZLZAFPMMAFPBHA-WXXKRRPTSA-N. The full InChI is InChI=1S/C37H39NO8/c1-26-34(29-16-9-4-10-17-29)46-37(42)38(26)36(41)32(22-27-12-5-2-6-13-27)35-33(40)20-19-30(45-35)18-11-21-43-25-31(23-39)44-24-28-14-7-3-8-15-28/h2-10,12-20,26,31-32,34-35,39H,11,21-25H2,1H3/t26-,31-,32-,34-,35-/m1/s1.

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

(4R,5S)-3-[(2R)-2-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 625.72 g/mol, XLogP of 5.35, 14 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-[(2R)-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propylidene]-3-oxopyran-2-yl]-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6667795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).