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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[(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
SMILESO=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
InChIInChI=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;
InChIKeyRAKWAMQLBKDPSF-STZGKHQYSA-N
MW1983.07 g/mol
LogP1.89
Rot. Bonds20
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).
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Sources
- PubChem CID 160570069 — identifiers, structure, computed properties (public domain)
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