(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one

C42H51NO6Si — CID 25112697

About (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 25112697) has the molecular formula C42H51NO6Si and a molecular weight of 693.96 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 25112697
• Molecular Formula: C42H51NO6Si
• Molecular Weight: 693.96 g/mol
• Exact Mass: 693.35
• IUPAC Name: (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](COCc1ccccc1)[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C42H51NO6Si/c1-31(28-47-29-34-20-12-7-13-21-34)39(49-50(42(3,4)5,36-22-14-8-15-23-36)37-24-16-9-17-25-37)27-38(44)32(2)40(45)43-35(30-48-41(43)46)26-33-18-10-6-11-19-33/h6-25,31-32,35,38-39,44H,26-30H2,1-5H3/t31-,32-,35-,38+,39+/m1/s1
• InChIKey: OKYSKGMOIDPIFZ-DSHSWJNRSA-N
• XLogP: 6.76
• TPSA: 85.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.96
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one (CID 25112697) is (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one is C[C@H](COCc1ccccc1)[C@H](C[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one?

The InChIKey is OKYSKGMOIDPIFZ-DSHSWJNRSA-N. The full InChI is InChI=1S/C42H51NO6Si/c1-31(28-47-29-34-20-12-7-13-21-34)39(49-50(42(3,4)5,36-22-14-8-15-23-36)37-24-16-9-17-25-37)27-38(44)32(2)40(45)43-35(30-48-41(43)46)26-33-18-10-6-11-19-33/h6-25,31-32,35,38-39,44H,26-30H2,1-5H3/t31-,32-,35-,38+,39+/m1/s1.

What are the key properties of (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 693.96 g/mol, XLogP of 6.76, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25112697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).