[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium

C29H33F4N3O8P+ — CID 130462012

About [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium

[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium (PubChem CID 130462012) has the molecular formula C29H33F4N3O8P+ and a molecular weight of 658.56 g/mol. Its IUPAC name is [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium.

Molecular Properties

• Compound Name: [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium
• PubChem CID: 130462012
• Molecular Formula: C29H33F4N3O8P+
• Molecular Weight: 658.56 g/mol
• Exact Mass: 658.19
• IUPAC Name: [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium
• SMILES: CC(C)OC(=O)[C@H](C)N[P+](O)(OC[C@@H]1C[C@@](C)(F)[C@H](n2ccc(=O)[nH]c2=O)O1)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C29H32F4N3O8P/c1-17(2)42-25(38)18(3)35-45(40,41-16-23-15-28(4,30)26(43-23)36-14-13-24(37)34-27(36)39)44-22-11-7-20(8-12-22)19-5-9-21(10-6-19)29(31,32)33/h5-14,17-18,23,26,35,40H,15-16H2,1-4H3/p+1/t18-,23-,26+,28+,45?/m0/s1
• InChIKey: ABYAGHYKIOZVHC-SFDMGWFSSA-O
• XLogP: 4.93
• TPSA: 141.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	658.56
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium?

The IUPAC name of [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium (CID 130462012) is [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium.

What is the SMILES notation for [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium?

The canonical SMILES for [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium is CC(C)OC(=O)[C@H](C)N[P+](O)(OC[C@@H]1C[C@@](C)(F)[C@H](n2ccc(=O)[nH]c2=O)O1)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium?

The InChIKey is ABYAGHYKIOZVHC-SFDMGWFSSA-O. The full InChI is InChI=1S/C29H32F4N3O8P/c1-17(2)42-25(38)18(3)35-45(40,41-16-23-15-28(4,30)26(43-23)36-14-13-24(37)34-27(36)39)44-22-11-7-20(8-12-22)19-5-9-21(10-6-19)29(31,32)33/h5-14,17-18,23,26,35,40H,15-16H2,1-4H3/p+1/t18-,23-,26+,28+,45?/m0/s1.

What are the key properties of [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium?

[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium has a molecular weight of 658.56 g/mol, XLogP of 4.93, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methoxy-hydroxy-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-[4-[4-(trifluoromethyl)phenyl]phenoxy]phosphanium is sourced from PubChem (CID 130462012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).