tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium

C40H71N3O8PSi+ — CID 159699324

About tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium

tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium (PubChem CID 159699324) has the molecular formula C40H71N3O8PSi+ and a molecular weight of 781.08 g/mol. Its IUPAC name is tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium.

Molecular Properties

• Compound Name: tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium
• PubChem CID: 159699324
• Molecular Formula: C40H71N3O8PSi+
• Molecular Weight: 781.08 g/mol
• Exact Mass: 780.47
• IUPAC Name: tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium
• SMILES: CCCC[P+](CCCC)(CCCC)CCCN1C(=O)CCC1=CCC(=O)OC1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C40H70N3O8PSi/c1-10-13-24-52(25-14-11-2,26-15-12-3)27-16-22-42-32(17-19-35(42)46)18-20-36(47)50-37-33(28-44)49-39(43-23-21-34(45)41-40(43)48)38(37)51-53(29(4)5,30(6)7)31(8)9/h18,21,23,29-31,33,37-39,44H,10-17,19-20,22,24-28H2,1-9H3/p+1/t33-,37?,38+,39-/m1/s1
• InChIKey: AQTMODNQWAJXQK-JAMWAZATSA-O
• XLogP: 7.60
• TPSA: 140.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.08
LogP ≤ 5	7.60
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 tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium?

The IUPAC name of tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium (CID 159699324) is tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium.

What is the SMILES notation for tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium?

The canonical SMILES for tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium is CCCC[P+](CCCC)(CCCC)CCCN1C(=O)CCC1=CCC(=O)OC1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium?

The InChIKey is AQTMODNQWAJXQK-JAMWAZATSA-O. The full InChI is InChI=1S/C40H70N3O8PSi/c1-10-13-24-52(25-14-11-2,26-15-12-3)27-16-22-42-32(17-19-35(42)46)18-20-36(47)50-37-33(28-44)49-39(43-23-21-34(45)41-40(43)48)38(37)51-53(29(4)5,30(6)7)31(8)9/h18,21,23,29-31,33,37-39,44H,10-17,19-20,22,24-28H2,1-9H3/p+1/t33-,37?,38+,39-/m1/s1.

What are the key properties of tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium?

tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium has a molecular weight of 781.08 g/mol, XLogP of 7.60, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tributyl-[3-[2-[3-[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-3-oxopropylidene]-5-oxopyrrolidin-1-yl]propyl]phosphanium is sourced from PubChem (CID 159699324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).