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

C22H26F3N3O9P+ — CID 87402219

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

[[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium (PubChem CID 87402219) has the molecular formula C22H26F3N3O9P+ and a molecular weight of 564.43 g/mol. Its IUPAC name is [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium.

Molecular Properties

• Compound Name: [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
• PubChem CID: 87402219
• Molecular Formula: C22H26F3N3O9P+
• Molecular Weight: 564.43 g/mol
• Exact Mass: 564.14
• IUPAC Name: [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium
• SMILES: CC(C(=O)OC(CF)CF)N(Oc1ccccc1)[P+](=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O
• InChI: InChI=1S/C22H25F3N3O9P/c1-13(19(31)35-15(10-23)11-24)28(37-14-6-4-3-5-7-14)38(33)34-12-16-18(30)22(2,25)20(36-16)27-9-8-17(29)26-21(27)32/h3-9,13,15-16,18,20,30H,10-12H2,1-2H3/p+1/t13?,16-,18-,20-,22-/m1/s1
• InChIKey: XFKPTJXKCMKEPO-ZCHHDDSOSA-O
• XLogP: 1.73
• TPSA: 149.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.43
LogP ≤ 5	1.73
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 [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium?

The IUPAC name of [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium (CID 87402219) is [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium.

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

The canonical SMILES for [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium is CC(C(=O)OC(CF)CF)N(Oc1ccccc1)[P+](=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O.

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

The InChIKey is XFKPTJXKCMKEPO-ZCHHDDSOSA-O. The full InChI is InChI=1S/C22H25F3N3O9P/c1-13(19(31)35-15(10-23)11-24)28(37-14-6-4-3-5-7-14)38(33)34-12-16-18(30)22(2,25)20(36-16)27-9-8-17(29)26-21(27)32/h3-9,13,15-16,18,20,30H,10-12H2,1-2H3/p+1/t13?,16-,18-,20-,22-/m1/s1.

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

[[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium has a molecular weight of 564.43 g/mol, XLogP of 1.73, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [[1-(1,3-difluoropropan-2-yloxy)-1-oxopropan-2-yl]-phenoxyamino]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 87402219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).