1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione

C69H70Cl4F4N8O39P4 — CID 160570069

About 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione

1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 160570069) has the molecular formula C69H70Cl4F4N8O39P4 and a molecular weight of 1983.07 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
• PubChem CID: 160570069
• Molecular Formula: C69H70Cl4F4N8O39P4
• Molecular Weight: 1983.07 g/mol
• Exact Mass: 1980.18
• IUPAC Name: 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n([C@@H]2O[C@](F)(COP3(=O)OCc4cc(Cl)ccc4O3)[C@@H](O)[C@H]2O)cc1CO.[2H]C([2H])(OP1(=O)OCc2cc(Cl)ccc2O1)[C@@]1(F)O[C@@H](n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.[2H]C([2H])(OP1(=O)OCc2cc(Cl)ccc2O1)[C@@]1(F)O[C@@]([2H])(N2C=C(CO)C(=O)NC2=C)[C@H](O)[C@@H]1O.[2H][C@@]1(n2cc(CO)c(=O)[nH]c2=O)O[C@](F)(COP2(=O)OCc3cc(Cl)ccc3O2)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C18H19ClFN2O9P.3C17H17ClFN2O10P/c1-9-21-16(26)11(6-23)5-22(9)17-14(24)15(25)18(20,30-17)8-29-32(27)28-7-10-4-12(19)2-3-13(10)31-32;3*18-10-1-2-11-8(3-10)6-28-32(27,31-11)29-7-17(19)13(24)12(23)15(30-17)21-4-9(5-22)14(25)20-16(21)26/h2-5,14-15,17,23-25H,1,6-8H2,(H,21,26);3*1-4,12-13,15,22-24H,5-7H2,(H,20,25,26)/t14-,15+,17-,18-,32?;3*12-,13+,15-,17-,32?/m1111/s1/i8D2,17D;15D;7D2
• InChIKey: RAKWAMQLBKDPSF-STZGKHQYSA-N
• XLogP: 1.89
• TPSA: 655.64 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.07
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione (CID 160570069) is 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2O[C@](F)(COP3(=O)OCc4cc(Cl)ccc4O3)[C@@H](O)[C@H]2O)cc1CO.[2H]C([2H])(OP1(=O)OCc2cc(Cl)ccc2O1)[C@@]1(F)O[C@@H](n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.[2H]C([2H])(OP1(=O)OCc2cc(Cl)ccc2O1)[C@@]1(F)O[C@@]([2H])(N2C=C(CO)C(=O)NC2=C)[C@H](O)[C@@H]1O.[2H][C@@]1(n2cc(CO)c(=O)[nH]c2=O)O[C@](F)(COP2(=O)OCc3cc(Cl)ccc3O2)[C@@H](O)[C@H]1O.

What is the InChIKey of 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

The InChIKey is RAKWAMQLBKDPSF-STZGKHQYSA-N. The full InChI is InChI=1S/C18H19ClFN2O9P.3C17H17ClFN2O10P/c1-9-21-16(26)11(6-23)5-22(9)17-14(24)15(25)18(20,30-17)8-29-32(27)28-7-10-4-12(19)2-3-13(10)31-32;3*18-10-1-2-11-8(3-10)6-28-32(27,31-11)29-7-17(19)13(24)12(23)15(30-17)21-4-9(5-22)14(25)20-16(21)26/h2-5,14-15,17,23-25H,1,6-8H2,(H,21,26);3*1-4,12-13,15,22-24H,5-7H2,(H,20,25,26)/t14-,15+,17-,18-,32?;3*12-,13+,15-,17-,32?/m1111/s1/i8D2,17D;15D;7D2;.

What are the key properties of 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?

1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 1983.07 g/mol, XLogP of 1.89, 20 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)-2-methylidenepyrimidin-4-one;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxy-dideuteriomethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-2-deuterio-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione;1-[(2R,3R,4S,5S)-5-[(6-chloro-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]-5-fluoro-3,4-dihydroxyoxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 160570069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).