2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde

C25H43NO4Si2 — CID 10390301

About 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde

2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde (PubChem CID 10390301) has the molecular formula C25H43NO4Si2 and a molecular weight of 477.79 g/mol. Its IUPAC name is 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde
• PubChem CID: 10390301
• Molecular Formula: C25H43NO4Si2
• Molecular Weight: 477.79 g/mol
• Exact Mass: 477.27
• IUPAC Name: 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CC=O)N(Cc2ccccc2)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H43NO4Si2/c1-24(2,3)31(7,8)29-21-20(16-17-27)26(18-19-14-12-11-13-15-19)23(28)22(21)30-32(9,10)25(4,5)6/h11-15,17,20-22H,16,18H2,1-10H3/t20-,21+,22-/m1/s1
• InChIKey: YHGLIEZVGBOWCL-BHIFYINESA-N
• XLogP: 5.77
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.79
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde?

The IUPAC name of 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde (CID 10390301) is 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde.

What is the SMILES notation for 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde?

The canonical SMILES for 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CC=O)N(Cc2ccccc2)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde?

The InChIKey is YHGLIEZVGBOWCL-BHIFYINESA-N. The full InChI is InChI=1S/C25H43NO4Si2/c1-24(2,3)31(7,8)29-21-20(16-17-27)26(18-19-14-12-11-13-15-19)23(28)22(21)30-32(9,10)25(4,5)6/h11-15,17,20-22H,16,18H2,1-10H3/t20-,21+,22-/m1/s1.

What are the key properties of 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde?

2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde has a molecular weight of 477.79 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde is sourced from PubChem (CID 10390301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).