[5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C28H53N7O4Si3 — CID 75149881

About [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 75149881) has the molecular formula C28H53N7O4Si3 and a molecular weight of 636.04 g/mol. Its IUPAC name is [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 75149881
• Molecular Formula: C28H53N7O4Si3
• Molecular Weight: 636.04 g/mol
• Exact Mass: 635.35
• IUPAC Name: [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N=[N+]=[N-])ncnc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H53N7O4Si3/c1-26(2,3)40(10,11)36-16-19-21(38-41(12,13)27(4,5)6)22(39-42(14,15)28(7,8)9)25(37-19)35-18-32-20-23(33-34-29)30-17-31-24(20)35/h17-19,21-22,25H,16H2,1-15H3
• InChIKey: HBGDJMZAYMWEIY-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 129.28 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.04
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 75149881) is [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N=[N+]=[N-])ncnc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is HBGDJMZAYMWEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N7O4Si3/c1-26(2,3)40(10,11)36-16-19-21(38-41(12,13)27(4,5)6)22(39-42(14,15)28(7,8)9)25(37-19)35-18-32-20-23(33-34-29)30-17-31-24(20)35/h17-19,21-22,25H,16H2,1-15H3.

What are the key properties of [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

[5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 636.04 g/mol, XLogP of 8.47, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 75149881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).