[(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate

C28H45N3O5SSi2 — CID 10674955

About [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate

[(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate (PubChem CID 10674955) has the molecular formula C28H45N3O5SSi2 and a molecular weight of 591.92 g/mol. Its IUPAC name is [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate.

Molecular Properties

• Compound Name: [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate
• PubChem CID: 10674955
• Molecular Formula: C28H45N3O5SSi2
• Molecular Weight: 591.92 g/mol
• Exact Mass: 591.26
• IUPAC Name: [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](OS(C)(=O)=O)[C@H](CCN=[N+]=[N-])O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C28H45N3O5SSi2/c1-27(2,3)38(8,9)34-22-26(35-37(7,32)33)25(20-21-30-31-29)36-39(28(4,5)6,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,25-26H,20-22H2,1-9H3/t25-,26+/m0/s1
• InChIKey: MOHUQFWZGLMJGW-IZZNHLLZSA-N
• XLogP: 6.00
• TPSA: 110.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.92
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate?

The IUPAC name of [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate (CID 10674955) is [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate.

What is the SMILES notation for [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate?

The canonical SMILES for [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate is CC(C)(C)[Si](C)(C)OC[C@@H](OS(C)(=O)=O)[C@H](CCN=[N+]=[N-])O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate?

The InChIKey is MOHUQFWZGLMJGW-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H45N3O5SSi2/c1-27(2,3)38(8,9)34-22-26(35-37(7,32)33)25(20-21-30-31-29)36-39(28(4,5)6,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h10-19,25-26H,20-22H2,1-9H3/t25-,26+/m0/s1.

What are the key properties of [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate?

[(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate has a molecular weight of 591.92 g/mol, XLogP of 6.00, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate is sourced from PubChem (CID 10674955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).