1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol

C31H60N4O5Si3 — CID 25136630

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

1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol (PubChem CID 25136630) has the molecular formula C31H60N4O5Si3 and a molecular weight of 653.10 g/mol. Its IUPAC name is 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol.

Molecular Properties

• Compound Name: 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol
• PubChem CID: 25136630
• Molecular Formula: C31H60N4O5Si3
• Molecular Weight: 653.10 g/mol
• Exact Mass: 652.39
• IUPAC Name: 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol
• SMILES: CCC(O)c1ncnc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C31H60N4O5Si3/c1-17-21(36)23-24-27(33-19-32-23)35(20-34-24)28-26(40-43(15,16)31(8,9)10)25(39-42(13,14)30(5,6)7)22(38-28)18-37-41(11,12)29(2,3)4/h19-22,25-26,28,36H,17-18H2,1-16H3/t21?,22-,25-,26-,28-/m1/s1
• InChIKey: BIJYVPDRHDVYBF-PFNIOKPUSA-N
• XLogP: 7.97
• TPSA: 100.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.10
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol (CID 25136630) is 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol.

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

The canonical SMILES for 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol is CCC(O)c1ncnc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[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 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol?

The InChIKey is BIJYVPDRHDVYBF-PFNIOKPUSA-N. The full InChI is InChI=1S/C31H60N4O5Si3/c1-17-21(36)23-24-27(33-19-32-23)35(20-34-24)28-26(40-43(15,16)31(8,9)10)25(39-42(13,14)30(5,6)7)22(38-28)18-37-41(11,12)29(2,3)4/h19-22,25-26,28,36H,17-18H2,1-16H3/t21?,22-,25-,26-,28-/m1/s1.

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

1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol has a molecular weight of 653.10 g/mol, XLogP of 7.97, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol is sourced from PubChem (CID 25136630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).