9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine

C36H71N5O4Si4 — CID 6429453

About 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine

9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine (PubChem CID 6429453) has the molecular formula C36H71N5O4Si4 and a molecular weight of 750.34 g/mol. Its IUPAC name is 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine.

Molecular Properties

• Compound Name: 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine
• PubChem CID: 6429453
• Molecular Formula: C36H71N5O4Si4
• Molecular Weight: 750.34 g/mol
• Exact Mass: 749.46
• IUPAC Name: 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine
• SMILES: CC(C)(C)[Si]1(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC1
• InChI: InChI=1S/C36H71N5O4Si4/c1-33(2,3)46(13,14)42-23-26-28(44-47(15,16)34(4,5)6)29(45-48(17,18)35(7,8)9)32(43-26)41-25-39-27-30(37-24-38-31(27)41)40-49(36(10,11)12)21-19-20-22-49/h24-26,28-29,32H,19-23H2,1-18H3,(H,37,38,40)/t26-,28?,29?,32-/m0/s1
• InChIKey: GMYGUWPIBWIFTB-XAYBEZRUSA-N
• XLogP: 10.48
• TPSA: 92.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.34
LogP ≤ 5	10.48
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 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine?

The IUPAC name of 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine (CID 6429453) is 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine.

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

The canonical SMILES for 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine is CC(C)(C)[Si]1(Nc2ncnc3c2ncn3[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC1.

What is the InChIKey of 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine?

The InChIKey is GMYGUWPIBWIFTB-XAYBEZRUSA-N. The full InChI is InChI=1S/C36H71N5O4Si4/c1-33(2,3)46(13,14)42-23-26-28(44-47(15,16)34(4,5)6)29(45-48(17,18)35(7,8)9)32(43-26)41-25-39-27-30(37-24-38-31(27)41)40-49(36(10,11)12)21-19-20-22-49/h24-26,28-29,32H,19-23H2,1-18H3,(H,37,38,40)/t26-,28?,29?,32-/m0/s1.

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

9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine has a molecular weight of 750.34 g/mol, XLogP of 10.48, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine is sourced from PubChem (CID 6429453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).