[(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate

C24H23F4N2O10P — CID 118294153

About [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate

[(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate (PubChem CID 118294153) has the molecular formula C24H23F4N2O10P and a molecular weight of 606.42 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate
• PubChem CID: 118294153
• Molecular Formula: C24H23F4N2O10P
• Molecular Weight: 606.42 g/mol
• Exact Mass: 606.10
• IUPAC Name: [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate
• SMILES: COc1ccc(OP(=O)(OC[C@@]2(C(F)F)O[C@@H](n3cc(F)c(=O)[nH]c3=O)[C@H](F)[C@@H]2O)Oc2ccc(OC)cc2)cc1
• InChI: InChI=1S/C24H23F4N2O10P/c1-35-13-3-7-15(8-4-13)39-41(34,40-16-9-5-14(36-2)6-10-16)37-12-24(22(27)28)19(31)18(26)21(38-24)30-11-17(25)20(32)29-23(30)33/h3-11,18-19,21-22,31H,12H2,1-2H3,(H,29,32,33)/t18-,19+,21-,24-/m1/s1
• InChIKey: APLOGKIUFFWAFC-RRZZWSPOSA-N
• XLogP: 3.21
• TPSA: 147.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.42
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate?

The IUPAC name of [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate (CID 118294153) is [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate.

What is the SMILES notation for [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate?

The canonical SMILES for [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate is COc1ccc(OP(=O)(OC[C@@]2(C(F)F)O[C@@H](n3cc(F)c(=O)[nH]c3=O)[C@H](F)[C@@H]2O)Oc2ccc(OC)cc2)cc1.

What is the InChIKey of [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate?

The InChIKey is APLOGKIUFFWAFC-RRZZWSPOSA-N. The full InChI is InChI=1S/C24H23F4N2O10P/c1-35-13-3-7-15(8-4-13)39-41(34,40-16-9-5-14(36-2)6-10-16)37-12-24(22(27)28)19(31)18(26)21(38-24)30-11-17(25)20(32)29-23(30)33/h3-11,18-19,21-22,31H,12H2,1-2H3,(H,29,32,33)/t18-,19+,21-,24-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate?

[(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate has a molecular weight of 606.42 g/mol, XLogP of 3.21, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-2-(difluoromethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(4-methoxyphenyl) phosphate is sourced from PubChem (CID 118294153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).