(4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one

C32H45NO6Si — CID 11365094

About (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one (PubChem CID 11365094) has the molecular formula C32H45NO6Si and a molecular weight of 567.80 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 11365094
• Molecular Formula: C32H45NO6Si
• Molecular Weight: 567.80 g/mol
• Exact Mass: 567.30
• IUPAC Name: (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one
• SMILES: C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C32H45NO6Si/c1-8-15-27(39-40(6,7)32(3,4)5)23(2)28(34)29(37-21-25-18-13-10-14-19-25)30(35)33-26(22-38-31(33)36)20-24-16-11-9-12-17-24/h8-14,16-19,23,26-29,34H,1,15,20-22H2,2-7H3/t23-,26-,27+,28-,29+/m1/s1
• InChIKey: QLDMGKVHQQOUHJ-GYDNBQAISA-N
• XLogP: 6.13
• TPSA: 85.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.80
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one (CID 11365094) is (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](OCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.

What is the InChIKey of (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is QLDMGKVHQQOUHJ-GYDNBQAISA-N. The full InChI is InChI=1S/C32H45NO6Si/c1-8-15-27(39-40(6,7)32(3,4)5)23(2)28(34)29(37-21-25-18-13-10-14-19-25)30(35)33-26(22-38-31(33)36)20-24-16-11-9-12-17-24/h8-14,16-19,23,26-29,34H,1,15,20-22H2,2-7H3/t23-,26-,27+,28-,29+/m1/s1.

What are the key properties of (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 567.80 g/mol, XLogP of 6.13, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methyl-2-phenylmethoxyoct-7-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11365094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).