tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

C38H63NO6Si3 — CID 11763991

About tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 11763991) has the molecular formula C38H63NO6Si3 and a molecular weight of 714.18 g/mol. Its IUPAC name is tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
• PubChem CID: 11763991
• Molecular Formula: C38H63NO6Si3
• Molecular Weight: 714.18 g/mol
• Exact Mass: 713.40
• IUPAC Name: tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C38H63NO6Si3/c1-35(2,3)43-34(41)39-30(27-42-48(38(10,11)12,28-23-19-17-20-24-28)29-25-21-18-22-26-29)31(44-46(13,14)36(4,5)6)32(33(39)40)45-47(15,16)37(7,8)9/h17-26,30-32H,27H2,1-16H3/t30-,31-,32+/m1/s1
• InChIKey: KLUTYPDMLVBCLT-IWWXRALLSA-N
• XLogP: 8.49
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.18
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	0
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 tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate (CID 11763991) is tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?

The InChIKey is KLUTYPDMLVBCLT-IWWXRALLSA-N. The full InChI is InChI=1S/C38H63NO6Si3/c1-35(2,3)43-34(41)39-30(27-42-48(38(10,11)12,28-23-19-17-20-24-28)29-25-21-18-22-26-29)31(44-46(13,14)36(4,5)6)32(33(39)40)45-47(15,16)37(7,8)9/h17-26,30-32H,27H2,1-16H3/t30-,31-,32+/m1/s1.

What are the key properties of tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate?

tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 714.18 g/mol, XLogP of 8.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11763991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).