N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C31H61N4O6PSi2 — CID 11767570

About N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 11767570) has the molecular formula C31H61N4O6PSi2 and a molecular weight of 673.00 g/mol. Its IUPAC name is N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• PubChem CID: 11767570
• Molecular Formula: C31H61N4O6PSi2
• Molecular Weight: 673.00 g/mol
• Exact Mass: 672.39
• IUPAC Name: N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
• SMILES: CCCCP(=O)(CCCC)[C@H](N)[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C31H61N4O6PSi2/c1-14-16-20-42(38,21-17-15-2)27(32)25-24(40-43(10,11)30(4,5)6)26(41-44(12,13)31(7,8)9)28(39-25)35-19-18-23(33-22(3)36)34-29(35)37/h18-19,24-28H,14-17,20-21,32H2,1-13H3,(H,33,34,36,37)/t24-,25+,26-,27+,28-/m1/s1
• InChIKey: PXQKWISKBMWQCE-YTZCDUBRSA-N
• XLogP: 7.13
• TPSA: 134.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.00
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The IUPAC name of N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide (CID 11767570) is N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The canonical SMILES for N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is CCCCP(=O)(CCCC)[C@H](N)[C@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)[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-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

The InChIKey is PXQKWISKBMWQCE-YTZCDUBRSA-N. The full InChI is InChI=1S/C31H61N4O6PSi2/c1-14-16-20-42(38,21-17-15-2)27(32)25-24(40-43(10,11)30(4,5)6)26(41-44(12,13)31(7,8)9)28(39-25)35-19-18-23(33-22(3)36)34-29(35)37/h18-19,24-28H,14-17,20-21,32H2,1-13H3,(H,33,34,36,37)/t24-,25+,26-,27+,28-/m1/s1.

What are the key properties of N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide?

N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 673.00 g/mol, XLogP of 7.13, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,3R,4R,5S)-5-[(S)-amino(dibutylphosphoryl)methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 11767570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).