About [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 161274904) has the molecular formula C131H121F6I2N12O42P
and a molecular weight of 2934.22 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
Frequently Asked Questions
What is the IUPAC name of [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 161274904) is [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is C#C[C@]1(O)[C@H](N2C=CC(=O)CC2=O)O[C@](F)(CI)[C@H]1O.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CI)[C@H]1C.C#C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C.C=C[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@H]1O.C=C[C@]1(O)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1O.C=C[C@]1(OC(=O)c2ccccc2)[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@](F)(CO)[C@H]1C.
What is the InChIKey of [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is VEHPFUQKXGBYRL-VBIRPUQPSA-N. The full InChI is InChI=1S/C26H20FIN2O6.C26H23FN2O7.C26H21FN2O7.C23H29FN3O10P.C18H17FN2O7.C12H11FINO5/c1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-28)36-23(25)29-15-14-20(31)30(24(29)34)21(32)18-10-6-4-7-11-18;2*1-3-25(35-22(33)19-12-8-5-9-13-19)17(2)26(27,16-30)36-23(25)28-15-14-20(31)29(24(28)34)21(32)18-10-6-4-7-11-18;1-5-22(32)19(30)23(24,36-20(22)27-12-11-17(28)25-21(27)31)13-34-38(33,37-16-9-7-6-8-10-16)26-15(4)18(29)35-14(2)3;1-2-17(27)14(25)18(19,10-22)28-15(17)20-9-8-12(23)21(16(20)26)13(24)11-6-4-3-5-7-11;1-2-11(19)9(18)12(13,6-14)20-10(11)15-4-3-7(16)5-8(15)17/h1,4-15,17,23H,16H2,2H3;3-15,17,23,30H,1,16H2,2H3;1,4-15,17,23,30H,16H2,2H3;5-12,14-15,19-20,30,32H,1,13H2,2-4H3,(H,26,33)(H,25,28,31);2-9,14-15,22,25,27H,1,10H2;1,3-4,9-10,18-19H,5-6H2/t3*17-,23+,25+,26+;15-,19-,20+,22+,23+,38-;14-,15+,17+,18+;9-,10+,11+,12+/m000000/s1.
What are the key properties of [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
[(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 2934.22 g/mol, XLogP of 7.04, 33 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethenyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(hydroxymethyl)-4-methyloxolan-3-yl] benzoate;[(2R,3S,4S,5R)-2-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-3-ethynyl-5-fluoro-5-(iodomethyl)-4-methyloxolan-3-yl] benzoate;3-benzoyl-1-[(2R,3R,4S,5S)-3-ethenyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,4S,5R)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyridine-2,4-dione;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 161274904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).