(3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one

C24H43NO4Si2 — CID 10367249

About (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one

(3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 10367249) has the molecular formula C24H43NO4Si2 and a molecular weight of 465.78 g/mol. Its IUPAC name is (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one
• PubChem CID: 10367249
• Molecular Formula: C24H43NO4Si2
• Molecular Weight: 465.78 g/mol
• Exact Mass: 465.27
• IUPAC Name: (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)N(Cc2ccccc2)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H43NO4Si2/c1-23(2,3)30(7,8)28-20-19(17-26)25(16-18-14-12-11-13-15-18)22(27)21(20)29-31(9,10)24(4,5)6/h11-15,19-21,26H,16-17H2,1-10H3/t19-,20+,21-/m1/s1
• InChIKey: NAXSMUCLEGDSNT-QHAWAJNXSA-N
• XLogP: 5.17
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.78
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one (CID 10367249) is (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one.

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

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

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

The InChIKey is NAXSMUCLEGDSNT-QHAWAJNXSA-N. The full InChI is InChI=1S/C24H43NO4Si2/c1-23(2,3)30(7,8)28-20-19(17-26)25(16-18-14-12-11-13-15-18)22(27)21(20)29-31(9,10)24(4,5)6/h11-15,19-21,26H,16-17H2,1-10H3/t19-,20+,21-/m1/s1.

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

(3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 465.78 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 10367249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).