(4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one

C49H52BrNO8 — CID 10952982

About (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 10952982) has the molecular formula C49H52BrNO8 and a molecular weight of 862.86 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 10952982
• Molecular Formula: C49H52BrNO8
• Molecular Weight: 862.86 g/mol
• Exact Mass: 861.29
• IUPAC Name: (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
• SMILES: C[C@@H](C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@@H](Br)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C49H52BrNO8/c1-35(44(50)48(52)51-41(33-58-49(51)53)28-36-17-7-2-8-18-36)27-42-45(55-30-38-21-11-4-12-22-38)47(57-32-40-25-15-6-16-26-40)46(56-31-39-23-13-5-14-24-39)43(59-42)34-54-29-37-19-9-3-10-20-37/h2-26,35,41-47H,27-34H2,1H3/t35-,41+,42-,43+,44+,45-,46-,47+/m0/s1
• InChIKey: NYGSLQYVJGFBDX-NAHYTFGJSA-N
• XLogP: 9.11
• TPSA: 92.76 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.86
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one (CID 10952982) is (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one is C[C@@H](C[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@@H](Br)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.

What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?

The InChIKey is NYGSLQYVJGFBDX-NAHYTFGJSA-N. The full InChI is InChI=1S/C49H52BrNO8/c1-35(44(50)48(52)51-41(33-58-49(51)53)28-36-17-7-2-8-18-36)27-42-45(55-30-38-21-11-4-12-22-38)47(57-32-40-25-15-6-16-26-40)46(56-31-39-23-13-5-14-24-39)43(59-42)34-54-29-37-19-9-3-10-20-37/h2-26,35,41-47H,27-34H2,1H3/t35-,41+,42-,43+,44+,45-,46-,47+/m0/s1.

What are the key properties of (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 862.86 g/mol, XLogP of 9.11, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(2R,3S)-2-bromo-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10952982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).