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

C30H56N4O5Si3 — CID 25136518

About [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(oxiran-2-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-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 25136518) has the molecular formula C30H56N4O5Si3 and a molecular weight of 637.06 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(oxiran-2-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-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 25136518
• Molecular Formula: C30H56N4O5Si3
• Molecular Weight: 637.06 g/mol
• Exact Mass: 636.36
• IUPAC Name: [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(oxiran-2-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(C4CO4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C30H56N4O5Si3/c1-28(2,3)40(10,11)36-17-21-24(38-41(12,13)29(4,5)6)25(39-42(14,15)30(7,8)9)27(37-21)34-19-33-23-22(20-16-35-20)31-18-32-26(23)34/h18-21,24-25,27H,16-17H2,1-15H3/t20?,21-,24-,25-,27-/m1/s1
• InChIKey: NQDWKTQDUZTMOI-KVTQNQFWSA-N
• XLogP: 7.60
• TPSA: 93.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.06
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', '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-(oxiran-2-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-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 25136518) is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(oxiran-2-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-(oxiran-2-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-(oxiran-2-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(C4CO4)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-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is NQDWKTQDUZTMOI-KVTQNQFWSA-N. The full InChI is InChI=1S/C30H56N4O5Si3/c1-28(2,3)40(10,11)36-17-21-24(38-41(12,13)29(4,5)6)25(39-42(14,15)30(7,8)9)27(37-21)34-19-33-23-22(20-16-35-20)31-18-32-26(23)34/h18-21,24-25,27H,16-17H2,1-15H3/t20?,21-,24-,25-,27-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(oxiran-2-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-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 637.06 g/mol, XLogP of 7.60, 9 rotatable bonds, 0 hydrogen bond donors, and 9 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-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 25136518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).