About [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 161093702) has the molecular formula C69H102F2N20O84P18
and a molecular weight of 3151.16 g/mol. Its IUPAC name is [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Frequently Asked Questions
What is the IUPAC name of [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 161093702) is [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is C#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1c(C)cc(=O)[nH]c1=O.C#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ncc(=O)[nH]c1=O.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cc(F)c(=O)[nH]c1=O.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc(=O)[nH]c1=O.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is UHMWZHANPAVOJV-MLGZXBKFSA-N. The full InChI is InChI=1S/2C12H17FN3O14P3.2C12H18N3O14P3.C11H17N4O14P3.C10H15N4O14P3/c2*1-3-12(14)8(17)7(27-10(12)16-4-6(13)9(18)15-11(16)19)5(2)28-32(23,24)30-33(25,26)29-31(20,21)22;1-3-12(13)9(17)7(27-10(12)15-6(2)4-8(16)14-11(15)18)5-26-31(22,23)29-32(24,25)28-30(19,20)21;1-3-12(13)9(17)8(26-10(12)15-5-4-7(16)14-11(15)18)6(2)27-31(22,23)29-32(24,25)28-30(19,20)21;1-3-11(12)7(16)6(26-8(11)15-4-13-9(17)14-10(15)18)5(2)27-31(22,23)29-32(24,25)28-30(19,20)21;1-2-10(11)7(16)5(26-8(10)14-9(17)13-6(15)3-12-14)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h2*1,4-5,7-8,10,17H,14H2,2H3,(H,23,24)(H,25,26)(H,15,18,19)(H2,20,21,22);1,4,7,9-10,17H,5,13H2,2H3,(H,22,23)(H,24,25)(H,14,16,18)(H2,19,20,21);1,4-6,8-10,17H,13H2,2H3,(H,22,23)(H,24,25)(H,14,16,18)(H2,19,20,21);1,4-8,16H,12H2,2H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21);1,3,5,7-8,16H,4,11H2,(H,21,22)(H,23,24)(H,13,15,17)(H2,18,19,20)/t5-,7+,8-,10+,12?;5-,7-,8+,10-,12?;7-,9+,10-,12?;6-,8-,9+,10-,12?;5-,6-,7+,8-,11?;5-,7+,8-,10?/m011111/s1.
What are the key properties of [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 3151.16 g/mol, XLogP of -14.26, 48 rotatable bonds, 42 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxopyrimidin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2,4-dioxo-1,3,5-triazin-1-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(3,5-dioxo-1,2,4-triazin-2-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-4-ethynyl-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-4-ethynyl-3-hydroxy-5-(6-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 161093702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).