N-benzyl-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]acetamide

C37H63N5O5Si3 — CID 11765549

About N-benzyl-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]acetamide

N-benzyl-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]acetamide (PubChem CID 11765549) has the molecular formula C37H63N5O5Si3 and a molecular weight of 742.20 g/mol. Its IUPAC name is N-benzyl-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]acetamide.

Molecular Properties

• Compound Name: N-benzyl-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]acetamide
• PubChem CID: 11765549
• Molecular Formula: C37H63N5O5Si3
• Molecular Weight: 742.20 g/mol
• Exact Mass: 741.41
• IUPAC Name: N-benzyl-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]acetamide
• SMILES: CC(=O)N(Cc1ccccc1)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/C37H63N5O5Si3/c1-26(43)41(22-27-20-18-17-19-21-27)32-29-33(39-24-38-32)42(25-40-29)34-31(47-50(15,16)37(8,9)10)30(46-49(13,14)36(5,6)7)28(45-34)23-44-48(11,12)35(2,3)4/h17-21,24-25,28,30-31,34H,22-23H2,1-16H3/t28-,30-,31-,34-/m1/s1
• InChIKey: VPHHOFYMBKGULK-UTBAFCPYSA-N
• XLogP: 9.08
• TPSA: 100.83 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.20
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
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-benzyl-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]acetamide?

The IUPAC name of N-benzyl-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]acetamide (CID 11765549) is N-benzyl-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]acetamide.

What is the SMILES notation for N-benzyl-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]acetamide?

The canonical SMILES for N-benzyl-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]acetamide is CC(=O)N(Cc1ccccc1)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-benzyl-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]acetamide?

The InChIKey is VPHHOFYMBKGULK-UTBAFCPYSA-N. The full InChI is InChI=1S/C37H63N5O5Si3/c1-26(43)41(22-27-20-18-17-19-21-27)32-29-33(39-24-38-32)42(25-40-29)34-31(47-50(15,16)37(8,9)10)30(46-49(13,14)36(5,6)7)28(45-34)23-44-48(11,12)35(2,3)4/h17-21,24-25,28,30-31,34H,22-23H2,1-16H3/t28-,30-,31-,34-/m1/s1.

What are the key properties of N-benzyl-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]acetamide?

N-benzyl-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]acetamide has a molecular weight of 742.20 g/mol, XLogP of 9.08, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-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]acetamide is sourced from PubChem (CID 11765549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).