5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

C72H76Cl4F4N8O32P4 — CID 159418519

About 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 159418519) has the molecular formula C72H76Cl4F4N8O32P4 and a molecular weight of 1913.16 g/mol. Its IUPAC name is 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 159418519
• Molecular Formula: C72H76Cl4F4N8O32P4
• Molecular Weight: 1913.16 g/mol
• Exact Mass: 1910.26
• IUPAC Name: 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
• SMILES: Cc1cc(C)c2c(c1)COP(=O)(OC[C@]1(F)C[C@@H](O)[C@H](n3cc(Cl)c(=O)[nH]c3=O)O1)O2.[2H]C([2H])(OP1(=O)OCc2cc(C)cc(C)c2O1)[C@]1(F)C[C@@H](O)[C@H](n2cc(Cl)c(=O)[nH]c2=O)O1.[2H]C([2H])(OP1(=O)OCc2cc(C)cc(C)c2O1)[C@]1(F)C[C@@H](O)[C@]([2H])(n2cc(Cl)c(=O)[nH]c2=O)O1.[2H][C@@]1(n2cc(Cl)c(=O)[nH]c2=O)O[C@](F)(COP2(=O)OCc3cc(C)cc(C)c3O2)C[C@H]1O
• InChI: InChI=1S/4C18H19ClFN2O8P/c4*1-9-3-10(2)14-11(4-9)7-27-31(26,30-14)28-8-18(20)5-13(23)16(29-18)22-6-12(19)15(24)21-17(22)25/h4*3-4,6,13,16,23H,5,7-8H2,1-2H3,(H,21,24,25)/t4*13-,16-,18+,31?/m1111/s1/i8D2,16D;16D;8D2
• InChIKey: LPLWBUITCBHFLX-QBSLFBJGSA-N
• XLogP: 9.95
• TPSA: 516.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.16
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (CID 159418519) is 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is Cc1cc(C)c2c(c1)COP(=O)(OC[C@]1(F)C[C@@H](O)[C@H](n3cc(Cl)c(=O)[nH]c3=O)O1)O2.[2H]C([2H])(OP1(=O)OCc2cc(C)cc(C)c2O1)[C@]1(F)C[C@@H](O)[C@H](n2cc(Cl)c(=O)[nH]c2=O)O1.[2H]C([2H])(OP1(=O)OCc2cc(C)cc(C)c2O1)[C@]1(F)C[C@@H](O)[C@]([2H])(n2cc(Cl)c(=O)[nH]c2=O)O1.[2H][C@@]1(n2cc(Cl)c(=O)[nH]c2=O)O[C@](F)(COP2(=O)OCc3cc(C)cc(C)c3O2)C[C@H]1O.

What is the InChIKey of 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is LPLWBUITCBHFLX-QBSLFBJGSA-N. The full InChI is InChI=1S/4C18H19ClFN2O8P/c4*1-9-3-10(2)14-11(4-9)7-27-31(26,30-14)28-8-18(20)5-13(23)16(29-18)22-6-12(19)15(24)21-17(22)25/h4*3-4,6,13,16,23H,5,7-8H2,1-2H3,(H,21,24,25)/t4*13-,16-,18+,31?/m1111/s1/i8D2,16D;16D;8D2;.

What are the key properties of 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?

5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1913.16 g/mol, XLogP of 9.95, 16 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-2-deuterio-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[dideuterio-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy]methyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione;5-chloro-1-[(2R,3R,5R)-5-[(6,8-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 159418519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).