About [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol
[(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol (PubChem CID 160785128) has the molecular formula C135H142N33O47P3
and a molecular weight of 3071.73 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol.
Frequently Asked Questions
What is the IUPAC name of [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol?
The IUPAC name of [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol (CID 160785128) is [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol.
What is the SMILES notation for [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol?
The canonical SMILES for [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol is CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](OC(C)=O)[C@@H]1OC(C)=O.CC1O[C@@H](n2cnc(C#N)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.CCO.COC[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](O)[C@@H]1O.CP(C)(=O)CO[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](O)[C@@H]1O.CP(C)(=O)CO[C@H]1O[C@@H](n2cnc(C#N)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.N#Cc1ncn([C@@H]2O[C@H](C(=O)O)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1.N#Cc1ncn([C@@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1.[H]/N=C(\N)c1ncn([C@@H]2O[C@H](OCP(C)(C)=O)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol?
The InChIKey is SBCHJGDMHUCWTH-KUBBOKAUSA-N. The full InChI is InChI=1S/C24H23N4O7P.C22H16N4O7.C22H18N4O6.C22H18N4O5.C14H16N4O7.C10H18N5O5P.C10H15N4O5P.C9H12N4O4.C2H6O/c1-36(2,31)15-32-24-20(34-23(30)17-11-7-4-8-12-17)19(33-22(29)16-9-5-3-6-10-16)21(35-24)28-14-26-18(13-25)27-28;23-11-15-24-12-26(25-15)19-17(33-22(30)14-9-5-2-6-10-14)16(18(31-19)20(27)28)32-21(29)13-7-3-1-4-8-13;23-11-17-24-13-26(25-17)20-19(32-22(29)15-9-5-2-6-10-15)18(16(12-27)30-20)31-21(28)14-7-3-1-4-8-14;1-14-18(30-21(27)15-8-4-2-5-9-15)19(31-22(28)16-10-6-3-7-11-16)20(29-14)26-13-24-17(12-23)25-26;1-7(19)22-5-10-12(23-8(2)20)13(24-9(3)21)14(25-10)18-6-16-11(4-15)17-18;1-21(2,18)4-19-10-6(17)5(16)9(20-10)15-3-13-8(14-15)7(11)12;1-20(2,17)5-18-10-8(16)7(15)9(19-10)14-4-12-6(3-11)13-14;1-16-3-5-7(14)8(15)9(17-5)13-4-11-6(2-10)12-13;1-2-3/h3-12,14,19-21,24H,15H2,1-2H3;1-10,12,16-19H,(H,27,28);1-10,13,16,18-20,27H,12H2;2-11,13-14,18-20H,1H3;6,10,12-14H,5H2,1-3H3;3,5-6,9-10,16-17H,4H2,1-2H3,(H3,11,12);4,7-10,15-16H,5H2,1-2H3;4-5,7-9,14-15H,3H2,1H3;3H,2H2,1H3/t19-,20+,21-,24+;16-,17+,18-,19+;16-,18-,19-,20-;14?,18-,19-,20-;10-,12-,13-,14-;5-,6+,9-,10+;7-,8+,9-,10+;5-,7-,8-,9-;/m10111111./s1.
What are the key properties of [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol?
[(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol has a molecular weight of 3071.73 g/mol, XLogP of 4.59, 42 rotatable bonds, 11 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-4-benzoyloxy-2-(3-cyano-1,2,4-triazol-1-yl)-5-(dimethylphosphorylmethoxy)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-cyano-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carbonitrile;1-[(2R,3R,4S,5R)-5-(dimethylphosphorylmethoxy)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboximidamide;ethanol is sourced from PubChem (CID 160785128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).