[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite

C34H41N2O8PSi — CID 71623391

About [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite

[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite (PubChem CID 71623391) has the molecular formula C34H41N2O8PSi and a molecular weight of 664.77 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite
• PubChem CID: 71623391
• Molecular Formula: C34H41N2O8PSi
• Molecular Weight: 664.77 g/mol
• Exact Mass: 664.24
• IUPAC Name: [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(O)O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C34H41N2O8PSi/c1-33(2,3)46(4,5)44-30-29(43-45(39)40)27(42-31(30)36-22-21-28(37)35-32(36)38)23-41-34(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-22,27,29-31,39-40H,23H2,1-5H3,(H,35,37,38)/t27-,29-,30-,31-/m1/s1
• InChIKey: XALNKRQTLASLMY-PMFUCWTESA-N
• XLogP: 5.43
• TPSA: 132.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.77
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite?

The IUPAC name of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite (CID 71623391) is [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite.

What is the SMILES notation for [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite?

The canonical SMILES for [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(O)O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite?

The InChIKey is XALNKRQTLASLMY-PMFUCWTESA-N. The full InChI is InChI=1S/C34H41N2O8PSi/c1-33(2,3)46(4,5)44-30-29(43-45(39)40)27(42-31(30)36-22-21-28(37)35-32(36)38)23-41-34(24-15-9-6-10-16-24,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-22,27,29-31,39-40H,23H2,1-5H3,(H,35,37,38)/t27-,29-,30-,31-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite?

[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite has a molecular weight of 664.77 g/mol, XLogP of 5.43, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite is sourced from PubChem (CID 71623391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).