2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide

C24H46N4O6Si2 — CID 11656789

About 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide

2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide (PubChem CID 11656789) has the molecular formula C24H46N4O6Si2 and a molecular weight of 542.83 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide
• PubChem CID: 11656789
• Molecular Formula: C24H46N4O6Si2
• Molecular Weight: 542.83 g/mol
• Exact Mass: 542.30
• IUPAC Name: 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide
• SMILES: CNc1ccn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@](O)(CC(N)=O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n1
• InChI: InChI=1S/C24H46N4O6Si2/c1-22(2,3)35(8,9)32-15-16-24(31,14-17(25)29)19(34-36(10,11)23(4,5)6)20(33-16)28-13-12-18(26-7)27-21(28)30/h12-13,16,19-20,31H,14-15H2,1-11H3,(H2,25,29)(H,26,27,30)/t16-,19+,20-,24-/m1/s1
• InChIKey: VVFFBZZMCVIXEO-XQEONZBOSA-N
• XLogP: 3.20
• TPSA: 137.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.83
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
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 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide?

The IUPAC name of 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide (CID 11656789) is 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide.

What is the SMILES notation for 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide?

The canonical SMILES for 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide is CNc1ccn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@](O)(CC(N)=O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n1.

What is the InChIKey of 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide?

The InChIKey is VVFFBZZMCVIXEO-XQEONZBOSA-N. The full InChI is InChI=1S/C24H46N4O6Si2/c1-22(2,3)35(8,9)32-15-16-24(31,14-17(25)29)19(34-36(10,11)23(4,5)6)20(33-16)28-13-12-18(26-7)27-21(28)30/h12-13,16,19-20,31H,14-15H2,1-11H3,(H2,25,29)(H,26,27,30)/t16-,19+,20-,24-/m1/s1.

What are the key properties of 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide?

2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide has a molecular weight of 542.83 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-[4-(methylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]acetamide is sourced from PubChem (CID 11656789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).