tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

C30H41NO7Si — CID 100970004

About tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 100970004) has the molecular formula C30H41NO7Si and a molecular weight of 555.74 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
• PubChem CID: 100970004
• Molecular Formula: C30H41NO7Si
• Molecular Weight: 555.74 g/mol
• Exact Mass: 555.27
• IUPAC Name: tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@H]1OC(=O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C30H41NO7Si/c1-29(2,3)38-28(35)31-20(17-18-23(31)26-24(32)25(33)27(34)37-26)19-36-39(30(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-26,32-33H,17-19H2,1-6H3/t20-,23-,24+,25+,26+/m0/s1
• InChIKey: WACAHQXREDCGRW-UYQMQTDJSA-N
• XLogP: 2.98
• TPSA: 105.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.74
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate (CID 100970004) is tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1[C@H]1OC(=O)[C@H](O)[C@H]1O.

What is the InChIKey of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?

The InChIKey is WACAHQXREDCGRW-UYQMQTDJSA-N. The full InChI is InChI=1S/C30H41NO7Si/c1-29(2,3)38-28(35)31-20(17-18-23(31)26-24(32)25(33)27(34)37-26)19-36-39(30(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-26,32-33H,17-19H2,1-6H3/t20-,23-,24+,25+,26+/m0/s1.

What are the key properties of tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate?

tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 555.74 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 100970004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).