ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate

C38H58N2O10Si2 — CID 135451091

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

ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate (PubChem CID 135451091) has the molecular formula C38H58N2O10Si2 and a molecular weight of 759.06 g/mol. Its IUPAC name is ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate.

Molecular Properties

• Compound Name: ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate
• PubChem CID: 135451091
• Molecular Formula: C38H58N2O10Si2
• Molecular Weight: 759.06 g/mol
• Exact Mass: 758.36
• IUPAC Name: ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate
• SMILES: COCOCCC(=O)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@](O[Si](C)(C)C)(C(=O)OC(C)(C)C)C(=[N+]=[N-])C(=O)OC(C)(C)C
• InChI: InChI=1S/C38H58N2O10Si2/c1-35(2,3)48-33(42)32(40-39)38(50-51(11,12)13,34(43)49-36(4,5)6)30(47-31(41)24-25-45-27-44-10)26-46-52(37(7,8)9,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,30H,24-27H2,1-13H3/t30-,38-/m1/s1
• InChIKey: XKBKFSOIXOLKQV-UKZNZPTOSA-N
• XLogP: 5.43
• TPSA: 152.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.06
LogP ≤ 5	5.43
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 ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate?

The IUPAC name of ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate (CID 135451091) is ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate.

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

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

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

The InChIKey is XKBKFSOIXOLKQV-UKZNZPTOSA-N. The full InChI is InChI=1S/C38H58N2O10Si2/c1-35(2,3)48-33(42)32(40-39)38(50-51(11,12)13,34(43)49-36(4,5)6)30(47-31(41)24-25-45-27-44-10)26-46-52(37(7,8)9,28-20-16-14-17-21-28)29-22-18-15-19-23-29/h14-23,30H,24-27H2,1-13H3/t30-,38-/m1/s1.

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

ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate has a molecular weight of 759.06 g/mol, XLogP of 5.43, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ditert-butyl (2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[3-(methoxymethoxy)propanoyloxy]ethyl]-3-diazo-2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 135451091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).