(4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C27H36BrNO10 — CID 23307573

About (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 23307573) has the molecular formula C27H36BrNO10 and a molecular weight of 614.49 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 23307573
• Molecular Formula: C27H36BrNO10
• Molecular Weight: 614.49 g/mol
• Exact Mass: 613.15
• IUPAC Name: (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H]1O[C@@](O)(CCCOC[C@@H](CO)OCc2ccccc2)C(Br)=CC1=O
• InChI: InChI=1S/C27H36BrNO10/c1-17(2)20-16-38-26(33)29(20)25(32)24(35-3)23-21(31)12-22(28)27(34,39-23)10-7-11-36-15-19(13-30)37-14-18-8-5-4-6-9-18/h4-6,8-9,12,17,19-20,23-24,30,34H,7,10-11,13-16H2,1-3H3/t19-,20+,23-,24-,27+/m1/s1
• InChIKey: USJMROVEMSGVJI-UBEUORNXSA-N
• XLogP: 2.31
• TPSA: 141.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.49
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 23307573) is (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CO[C@@H](C(=O)N1C(=O)OC[C@H]1C(C)C)[C@@H]1O[C@@](O)(CCCOC[C@@H](CO)OCc2ccccc2)C(Br)=CC1=O.

What is the InChIKey of (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is USJMROVEMSGVJI-UBEUORNXSA-N. The full InChI is InChI=1S/C27H36BrNO10/c1-17(2)20-16-38-26(33)29(20)25(32)24(35-3)23-21(31)12-22(28)27(34,39-23)10-7-11-36-15-19(13-30)37-14-18-8-5-4-6-9-18/h4-6,8-9,12,17,19-20,23-24,30,34H,7,10-11,13-16H2,1-3H3/t19-,20+,23-,24-,27+/m1/s1.

What are the key properties of (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 614.49 g/mol, XLogP of 2.31, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(2R)-2-[(2S,6S)-5-bromo-6-hydroxy-6-[3-[(2R)-3-hydroxy-2-phenylmethoxypropoxy]propyl]-3-oxopyran-2-yl]-2-methoxyacetyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23307573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).