4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate

C33H48N2O10Si2 — CID 155932143

About 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate

4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate (PubChem CID 155932143) has the molecular formula C33H48N2O10Si2 and a molecular weight of 688.92 g/mol. Its IUPAC name is 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate.

Molecular Properties

• Compound Name: 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate
• PubChem CID: 155932143
• Molecular Formula: C33H48N2O10Si2
• Molecular Weight: 688.92 g/mol
• Exact Mass: 688.28
• IUPAC Name: 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate
• SMILES: CCOC(=O)C(=[N+]=[N-])[C@](O[Si](C)(C)C)(C(=O)OC)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCOCOC
• InChI: InChI=1S/C33H48N2O10Si2/c1-10-42-30(37)29(35-34)33(31(38)40-6,45-46(7,8)9)27(44-28(36)21-22-41-24-39-5)23-43-47(32(2,3)4,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,27H,10,21-24H2,1-9H3/t27?,33-/m0/s1
• InChIKey: JFTYZSCMNNNHBG-UWPPNVRMSA-N
• XLogP: 3.48
• TPSA: 152.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	688.92
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate?

The IUPAC name of 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate (CID 155932143) is 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate.

What is the SMILES notation for 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate?

The canonical SMILES for 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate is CCOC(=O)C(=[N+]=[N-])[C@](O[Si](C)(C)C)(C(=O)OC)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCOCOC.

What is the InChIKey of 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate?

The InChIKey is JFTYZSCMNNNHBG-UWPPNVRMSA-N. The full InChI is InChI=1S/C33H48N2O10Si2/c1-10-42-30(37)29(35-34)33(31(38)40-6,45-46(7,8)9)27(44-28(36)21-22-41-24-39-5)23-43-47(32(2,3)4,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h11-20,27H,10,21-24H2,1-9H3/t27?,33-/m0/s1.

What are the key properties of 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate?

4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate has a molecular weight of 688.92 g/mol, XLogP of 3.48, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-ethyl 1-O-methyl (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 155932143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).