N-[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]-N-methyl-2-phenoxyacetamide

C37H63N5O6Si3 — CID 10259549

About N-[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]-N-methyl-2-phenoxyacetamide

N-[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]-N-methyl-2-phenoxyacetamide (PubChem CID 10259549) has the molecular formula C37H63N5O6Si3 and a molecular weight of 758.20 g/mol. Its IUPAC name is N-[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]-N-methyl-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[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]-N-methyl-2-phenoxyacetamide
• PubChem CID: 10259549
• Molecular Formula: C37H63N5O6Si3
• Molecular Weight: 758.20 g/mol
• Exact Mass: 757.41
• IUPAC Name: N-[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]-N-methyl-2-phenoxyacetamide
• SMILES: CN(C(=O)COc1ccccc1)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/C37H63N5O6Si3/c1-35(2,3)49(11,12)45-22-27-30(47-50(13,14)36(4,5)6)31(48-51(15,16)37(7,8)9)34(46-27)42-25-40-29-32(38-24-39-33(29)42)41(10)28(43)23-44-26-20-18-17-19-21-26/h17-21,24-25,27,30-31,34H,22-23H2,1-16H3/t27-,30-,31-,34-/m1/s1
• InChIKey: MLKZGSPTUVAGJN-CIBJAQMISA-N
• XLogP: 8.57
• TPSA: 110.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.20
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[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]-N-methyl-2-phenoxyacetamide?

The IUPAC name of N-[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]-N-methyl-2-phenoxyacetamide (CID 10259549) is N-[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]-N-methyl-2-phenoxyacetamide.

What is the SMILES notation for N-[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]-N-methyl-2-phenoxyacetamide?

The canonical SMILES for N-[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]-N-methyl-2-phenoxyacetamide is CN(C(=O)COc1ccccc1)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 N-[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]-N-methyl-2-phenoxyacetamide?

The InChIKey is MLKZGSPTUVAGJN-CIBJAQMISA-N. The full InChI is InChI=1S/C37H63N5O6Si3/c1-35(2,3)49(11,12)45-22-27-30(47-50(13,14)36(4,5)6)31(48-51(15,16)37(7,8)9)34(46-27)42-25-40-29-32(38-24-39-33(29)42)41(10)28(43)23-44-26-20-18-17-19-21-26/h17-21,24-25,27,30-31,34H,22-23H2,1-16H3/t27-,30-,31-,34-/m1/s1.

What are the key properties of N-[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]-N-methyl-2-phenoxyacetamide?

N-[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]-N-methyl-2-phenoxyacetamide has a molecular weight of 758.20 g/mol, XLogP of 8.57, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[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]-N-methyl-2-phenoxyacetamide is sourced from PubChem (CID 10259549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).