[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate

C19H39N2O8PSi3 — CID 90471522

About [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate

[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate (PubChem CID 90471522) has the molecular formula C19H39N2O8PSi3 and a molecular weight of 538.76 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate
• PubChem CID: 90471522
• Molecular Formula: C19H39N2O8PSi3
• Molecular Weight: 538.76 g/mol
• Exact Mass: 538.18
• IUPAC Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate
• SMILES: Cc1cn([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C19H39N2O8PSi3/c1-14-12-21(19(23)20-18(14)22)17-11-15(27-31(2,3)4)16(26-17)13-25-30(24,28-32(5,6)7)29-33(8,9)10/h12,15-17H,11,13H2,1-10H3,(H,20,22,23)/t15-,16+,17+/m0/s1
• InChIKey: YJCOQJDRAMPSRW-GVDBMIGSSA-N
• XLogP: 4.18
• TPSA: 118.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.76
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
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 [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate?

The IUPAC name of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate (CID 90471522) is [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate.

What is the SMILES notation for [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate?

The canonical SMILES for [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate is Cc1cn([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate?

The InChIKey is YJCOQJDRAMPSRW-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H39N2O8PSi3/c1-14-12-21(19(23)20-18(14)22)17-11-15(27-31(2,3)4)16(26-17)13-25-30(24,28-32(5,6)7)29-33(8,9)10/h12,15-17H,11,13H2,1-10H3,(H,20,22,23)/t15-,16+,17+/m0/s1.

What are the key properties of [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate?

[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate has a molecular weight of 538.76 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-trimethylsilyloxyoxolan-2-yl]methyl bis(trimethylsilyl) phosphate is sourced from PubChem (CID 90471522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).