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

C27H43N3O3Si2 — CID 10673361

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

(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol (PubChem CID 10673361) has the molecular formula C27H43N3O3Si2 and a molecular weight of 513.83 g/mol. Its IUPAC name is (2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol.

Molecular Properties

• Compound Name: (2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol
• PubChem CID: 10673361
• Molecular Formula: C27H43N3O3Si2
• Molecular Weight: 513.83 g/mol
• Exact Mass: 513.28
• IUPAC Name: (2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](CCN=[N+]=[N-])O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C27H43N3O3Si2/c1-26(2,3)34(7,8)32-21-24(31)25(19-20-29-30-28)33-35(27(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,31H,19-21H2,1-8H3/t24-,25+/m1/s1
• InChIKey: DWEWQFBCLYMJJE-RPBOFIJWSA-N
• XLogP: 6.01
• TPSA: 87.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.83
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-ol?

The IUPAC name of (2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol (CID 10673361) is (2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol.

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

The canonical SMILES for (2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](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-ol?

The InChIKey is DWEWQFBCLYMJJE-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H43N3O3Si2/c1-26(2,3)34(7,8)32-21-24(31)25(19-20-29-30-28)33-35(27(4,5)6,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-25,31H,19-21H2,1-8H3/t24-,25+/m1/s1.

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

(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-ol has a molecular weight of 513.83 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 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-ol is sourced from PubChem (CID 10673361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).