9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine

C33H63N5O4Si3 — CID 135015562

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

9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine (PubChem CID 135015562) has the molecular formula C33H63N5O4Si3 and a molecular weight of 678.16 g/mol. Its IUPAC name is 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine.

Molecular Properties

• Compound Name: 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine
• PubChem CID: 135015562
• Molecular Formula: C33H63N5O4Si3
• Molecular Weight: 678.16 g/mol
• Exact Mass: 677.42
• IUPAC Name: 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H63N5O4Si3/c1-31(2,3)43(10,11)39-20-24-26(41-44(12,13)32(4,5)6)27(42-45(14,15)33(7,8)9)30(40-24)38-22-36-25-28(34-21-35-29(25)38)37-23-18-16-17-19-23/h21-24,26-27,30H,16-20H2,1-15H3,(H,34,35,37)/t24-,26?,27?,30-/m1/s1
• InChIKey: ZHCYDNVELDQEPT-LOFJPGAYSA-N
• XLogP: 8.88
• TPSA: 92.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.16
LogP ≤ 5	8.88
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-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine?

The IUPAC name of 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine (CID 135015562) is 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine.

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

The canonical SMILES for 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is ZHCYDNVELDQEPT-LOFJPGAYSA-N. The full InChI is InChI=1S/C33H63N5O4Si3/c1-31(2,3)43(10,11)39-20-24-26(41-44(12,13)32(4,5)6)27(42-45(14,15)33(7,8)9)30(40-24)38-22-36-25-28(34-21-35-29(25)38)37-23-18-16-17-19-23/h21-24,26-27,30H,16-20H2,1-15H3,(H,34,35,37)/t24-,26?,27?,30-/m1/s1.

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

9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine has a molecular weight of 678.16 g/mol, XLogP of 8.88, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine is sourced from PubChem (CID 135015562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).