N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

C31H55N5O6Si2 — CID 135798392

About N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide (PubChem CID 135798392) has the molecular formula C31H55N5O6Si2 and a molecular weight of 649.98 g/mol. Its IUPAC name is N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
• PubChem CID: 135798392
• Molecular Formula: C31H55N5O6Si2
• Molecular Weight: 649.98 g/mol
• Exact Mass: 649.37
• IUPAC Name: N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)C(C)(C)C)O2)c(=O)[nH]1
• InChI: InChI=1S/C31H55N5O6Si2/c1-19(2)24(37)34-27-33-23-22(25(38)35-27)32-18-36(23)21-16-20(42-44(14,15)30(9,10)11)31(41-21,26(39)28(3,4)5)17-40-43(12,13)29(6,7)8/h18-21H,16-17H2,1-15H3,(H2,33,34,35,37,38)/t20-,21+,31+/m0/s1
• InChIKey: RRFIYQCOFTZGOV-XYTRMVCOSA-N
• XLogP: 6.40
• TPSA: 137.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.98
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
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 N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?

The IUPAC name of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide (CID 135798392) is N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide.

What is the SMILES notation for N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?

The canonical SMILES for N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)C(C)(C)C)O2)c(=O)[nH]1.

What is the InChIKey of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?

The InChIKey is RRFIYQCOFTZGOV-XYTRMVCOSA-N. The full InChI is InChI=1S/C31H55N5O6Si2/c1-19(2)24(37)34-27-33-23-22(25(38)35-27)32-18-36(23)21-16-20(42-44(14,15)30(9,10)11)31(41-21,26(39)28(3,4)5)17-40-43(12,13)29(6,7)8/h18-21H,16-17H2,1-15H3,(H2,33,34,35,37,38)/t20-,21+,31+/m0/s1.

What are the key properties of N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide?

N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide has a molecular weight of 649.98 g/mol, XLogP of 6.40, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,2-dimethylpropanoyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 135798392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).