[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium

C17H19FN2O7P+ — CID 70946990

About [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium (PubChem CID 70946990) has the molecular formula C17H19FN2O7P+ and a molecular weight of 413.32 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium
• PubChem CID: 70946990
• Molecular Formula: C17H19FN2O7P+
• Molecular Weight: 413.32 g/mol
• Exact Mass: 413.09
• IUPAC Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium
• SMILES: C[C@@]1(F)[C@H](O[P+](=O)OCc2ccccc2)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C17H18FN2O7P/c1-17(18)14(27-28(24)25-10-11-5-3-2-4-6-11)12(9-21)26-15(17)20-8-7-13(22)19-16(20)23/h2-8,12,14-15,21H,9-10H2,1H3/p+1/t12-,14-,15-,17-/m1/s1
• InChIKey: VZYIYWMHMIJITE-DNNBLBMLSA-O
• XLogP: 1.41
• TPSA: 119.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.32
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium?

The IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium (CID 70946990) is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium?

The canonical SMILES for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium is C[C@@]1(F)[C@H](O[P+](=O)OCc2ccccc2)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium?

The InChIKey is VZYIYWMHMIJITE-DNNBLBMLSA-O. The full InChI is InChI=1S/C17H18FN2O7P/c1-17(18)14(27-28(24)25-10-11-5-3-2-4-6-11)12(9-21)26-15(17)20-8-7-13(22)19-16(20)23/h2-8,12,14-15,21H,9-10H2,1H3/p+1/t12-,14-,15-,17-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium?

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium has a molecular weight of 413.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium is sourced from PubChem (CID 70946990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).