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

C30H37N3O4Si — CID 59343837

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

[(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59343837) has the molecular formula C30H37N3O4Si and a molecular weight of 531.73 g/mol. Its IUPAC name is [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 59343837
• Molecular Formula: C30H37N3O4Si
• Molecular Weight: 531.73 g/mol
• Exact Mass: 531.26
• IUPAC Name: [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: CO[C@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(N=[N+]=[N-])[C@H]1OCc1ccccc1
• InChI: InChI=1S/C30H37N3O4Si/c1-30(2,3)38(24-16-10-6-11-17-24,25-18-12-7-13-19-25)37-22-27-29(34-4)28(26(21-35-27)32-33-31)36-20-23-14-8-5-9-15-23/h5-19,26-29H,20-22H2,1-4H3/t26?,27?,28-,29+/m1/s1
• InChIKey: VGSJGUSUKKGAJV-FNUNSLKWSA-N
• XLogP: 5.24
• TPSA: 85.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.73
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 59343837) is [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane.

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

The canonical SMILES for [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane is CO[C@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCC(N=[N+]=[N-])[C@H]1OCc1ccccc1.

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

The InChIKey is VGSJGUSUKKGAJV-FNUNSLKWSA-N. The full InChI is InChI=1S/C30H37N3O4Si/c1-30(2,3)38(24-16-10-6-11-17-24,25-18-12-7-13-19-25)37-22-27-29(34-4)28(26(21-35-27)32-33-31)36-20-23-14-8-5-9-15-23/h5-19,26-29H,20-22H2,1-4H3/t26?,27?,28-,29+/m1/s1.

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

[(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 531.73 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59343837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).