[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium

C20H23F2N3O9P+ — CID 87402330

About [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium (PubChem CID 87402330) has the molecular formula C20H23F2N3O9P+ and a molecular weight of 518.39 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium
• PubChem CID: 87402330
• Molecular Formula: C20H23F2N3O9P+
• Molecular Weight: 518.39 g/mol
• Exact Mass: 518.11
• IUPAC Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium
• SMILES: COC(=O)C(C)N(Oc1ccc(F)cc1)[P+](=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O
• InChI: InChI=1S/C20H22F2N3O9P/c1-11(17(28)31-3)25(34-13-6-4-12(21)5-7-13)35(30)32-10-14-16(27)20(2,22)18(33-14)24-9-8-15(26)23-19(24)29/h4-9,11,14,16,18,27H,10H2,1-3H3/p+1/t11?,14-,16-,18-,20-/m1/s1
• InChIKey: PWQUTZFQLQKUOS-RZHTXOSWSA-O
• XLogP: 1.19
• TPSA: 149.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.39
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

The IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium (CID 87402330) is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

The canonical SMILES for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium is COC(=O)C(C)N(Oc1ccc(F)cc1)[P+](=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O.

What is the InChIKey of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

The InChIKey is PWQUTZFQLQKUOS-RZHTXOSWSA-O. The full InChI is InChI=1S/C20H22F2N3O9P/c1-11(17(28)31-3)25(34-13-6-4-12(21)5-7-13)35(30)32-10-14-16(27)20(2,22)18(33-14)24-9-8-15(26)23-19(24)29/h4-9,11,14,16,18,27H,10H2,1-3H3/p+1/t11?,14-,16-,18-,20-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium?

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium has a molecular weight of 518.39 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(4-fluorophenoxy)-(1-methoxy-1-oxopropan-2-yl)amino]-oxophosphanium is sourced from PubChem (CID 87402330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).