[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane

C27H39N3O5Si — CID 59765611

About [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane

[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59765611) has the molecular formula C27H39N3O5Si and a molecular weight of 513.71 g/mol. Its IUPAC name is [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 59765611
• Molecular Formula: C27H39N3O5Si
• Molecular Weight: 513.71 g/mol
• Exact Mass: 513.27
• IUPAC Name: [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: CCOC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC)[C@H](OCC)C1N=[N+]=[N-]
• InChI: InChI=1S/C27H39N3O5Si/c1-7-32-25-23(29-30-28)26(33-8-2)35-22(24(25)31-6)19-34-36(27(3,4)5,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-26H,7-8,19H2,1-6H3/t22?,23?,24-,25+,26?/m0/s1
• InChIKey: GGKAHCWCSHEKPA-XFJIVZBESA-N
• XLogP: 4.42
• TPSA: 94.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.71
LogP ≤ 5	4.42
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 [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 59765611) is [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane is CCOC1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC)[C@H](OCC)C1N=[N+]=[N-].

What is the InChIKey of [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is GGKAHCWCSHEKPA-XFJIVZBESA-N. The full InChI is InChI=1S/C27H39N3O5Si/c1-7-32-25-23(29-30-28)26(33-8-2)35-22(24(25)31-6)19-34-36(27(3,4)5,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-26H,7-8,19H2,1-6H3/t22?,23?,24-,25+,26?/m0/s1.

What are the key properties of [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?

[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 513.71 g/mol, XLogP of 4.42, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59765611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).