[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C36H59N7O4Si3 — CID 46210058

About [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 46210058) has the molecular formula C36H59N7O4Si3 and a molecular weight of 738.17 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 46210058
• Molecular Formula: C36H59N7O4Si3
• Molecular Weight: 738.17 g/mol
• Exact Mass: 737.39
• IUPAC Name: [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4nncc4-c4ccccc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C36H59N7O4Si3/c1-34(2,3)48(10,11)44-22-27-29(46-49(12,13)35(4,5)6)30(47-50(14,15)36(7,8)9)33(45-27)42-24-39-28-31(42)37-23-38-32(28)43-26(21-40-41-43)25-19-17-16-18-20-25/h16-21,23-24,27,29-30,33H,22H2,1-15H3/t27-,29-,30-,33-/m1/s1
• InChIKey: PRSWEGNKRCWPHF-JHZZHVAFSA-N
• XLogP: 8.77
• TPSA: 111.23 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	738.17
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 46210058) is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4nncc4-c4ccccc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is PRSWEGNKRCWPHF-JHZZHVAFSA-N. The full InChI is InChI=1S/C36H59N7O4Si3/c1-34(2,3)48(10,11)44-22-27-29(46-49(12,13)35(4,5)6)30(47-50(14,15)36(7,8)9)33(45-27)42-24-39-28-31(42)37-23-38-32(28)43-26(21-40-41-43)25-19-17-16-18-20-25/h16-21,23-24,27,29-30,33H,22H2,1-15H3/t27-,29-,30-,33-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 738.17 g/mol, XLogP of 8.77, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 46210058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).