About (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate
(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate (PubChem CID 162105094) has the molecular formula C82H115F7N19O37P5
and a molecular weight of 2246.77 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate.
Frequently Asked Questions
What is the IUPAC name of (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate?
The IUPAC name of (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate (CID 162105094) is (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate.
What is the SMILES notation for (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate?
The canonical SMILES for (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate is C#C[C@]1(F)[C@H](N2C=CC(=O)NC2=C)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@](F)(CO)[C@@H](O)[C@@]1(C)N.C=C1N=C(N)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)N.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)NC(C)C(=O)OC(C)C)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate?
The InChIKey is ZFJYYJIFYKPFBU-QLUJPYNJSA-N. The full InChI is InChI=1S/C23H33FN5O7P.C23H38FN4O10P.C13H12F2N4O4.C12H15F2N2O13P3.C11H17FN4O3/c1-14(2)34-19(30)15(3)28-37(32,36-17-9-7-6-8-10-17)33-13-23(24)20(31)22(5,26)21(35-23)29-12-11-18(25)27-16(29)4;1-12(2)36-18(30)14(5)26-39(34,27-15(6)19(31)37-13(3)4)35-11-23(24)20(32)22(8,33)21(38-23)28-10-9-17(29)25-16(28)7;1-3-12(14)10(22)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-11(13)9(18)12(14,27-10(11)16-5-4-8(17)15-7(16)2)6-26-31(22,23)29-32(24,25)28-30(19,20)21;1-6-15-7(13)3-4-16(6)9-10(2,14)8(18)11(12,5-17)19-9/h6-12,14-15,20-21,31H,4,13,26H2,1-3,5H3,(H2,25,27)(H,28,32);9-10,12-15,20-21,32-33H,7,11H2,1-6,8H3,(H,25,29)(H2,26,27,34);1,5,10-11,20,22H,4H2,2H3,(H,17,18,21);1,4-5,9-10,18H,2,6H2,(H,15,17)(H,22,23)(H,24,25)(H2,19,20,21);3-4,8-9,17-18H,1,5,14H2,2H3,(H2,13,15)/t15?,20-,21+,22+,23+,37?;14?,15?,20-,21+,22+,23+,39?;10-,11+,12+,13+;9-,10+,11+,12+;8-,9+,10+,11+/m00000/s1.
What are the key properties of (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate?
(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate has a molecular weight of 2246.77 g/mol, XLogP of -0.08, 34 rotatable bonds, 22 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;propan-2-yl 2-[[[(2S,3S,4R,5R)-4-amino-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate is sourced from PubChem (CID 162105094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).