About [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
[(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane (PubChem CID 162092385) has the molecular formula C156H212N32O48P2
and a molecular weight of 3365.54 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane.
Frequently Asked Questions
What is the IUPAC name of [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane?
The IUPAC name of [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane (CID 162092385) is [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane.
What is the SMILES notation for [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane?
The canonical SMILES for [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1O[C@@H](n2cnc(C(N)=O)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.CC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O.CC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.CP(C)(=O)C[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O.CP(C)(=O)C[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.NC(=O)c1ncn([C@@H]2O[C@H](C(=O)O)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1.NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1.NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1.
What is the InChIKey of [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane?
The InChIKey is ZDUFFDSTMGPOQO-CNJRBPOQSA-N. The full InChI is InChI=1S/C24H25N4O7P.C23H22N4O6.C22H18N4O8.C22H20N4O7.C22H20N4O6.C10H17N4O5P.C9H14N4O4.C8H12N4O5.16CH4/c1-36(2,32)13-17-18(34-23(30)15-9-5-3-6-10-15)19(35-24(31)16-11-7-4-8-12-16)22(33-17)28-14-26-21(27-28)20(25)29;1-2-16-17(32-22(29)14-9-5-3-6-10-14)18(33-23(30)15-11-7-4-8-12-15)21(31-16)27-13-25-20(26-27)19(24)28;23-17(27)18-24-11-26(25-18)19-15(34-22(31)13-9-5-2-6-10-13)14(16(32-19)20(28)29)33-21(30)12-7-3-1-4-8-12;23-18(28)19-24-12-26(25-19)20-17(33-22(30)14-9-5-2-6-10-14)16(15(11-27)31-20)32-21(29)13-7-3-1-4-8-13;1-13-16(31-21(28)14-8-4-2-5-9-14)17(32-22(29)15-10-6-3-7-11-15)20(30-13)26-12-24-19(25-26)18(23)27;1-20(2,18)3-5-6(15)7(16)10(19-5)14-4-12-9(13-14)8(11)17;1-2-4-5(14)6(15)9(17-4)13-3-11-8(12-13)7(10)16;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8;;;;;;;;;;;;;;;;/h3-12,14,17-19,22H,13H2,1-2H3,(H2,25,29);3-13,16-18,21H,2H2,1H3,(H2,24,28);1-11,14-16,19H,(H2,23,27)(H,28,29);1-10,12,15-17,20,27H,11H2,(H2,23,28);2-13,16-17,20H,1H3,(H2,23,27);4-7,10,15-16H,3H2,1-2H3,(H2,11,17);3-6,9,14-15H,2H2,1H3,(H2,10,16);2-5,8,13-15H,1H2,(H2,9,16);16*1H4/t17-,18-,19-,22-;16-,17-,18-,21-;14-,15+,16-,19+;15-,16-,17-,20-;13?,16-,17-,20-;5-,6-,7-,10-;4-,5-,6-,9-;3-,4-,5-,8-;;;;;;;;;;;;;;;;/m11011111................/s1.
What are the key properties of [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane?
[(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane has a molecular weight of 3365.54 g/mol, XLogP of 11.95, 45 rotatable bonds, 17 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(dimethylphosphorylmethyl)oxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-ethyloxolan-3-yl] benzoate;[(2R,3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate;[(3R,4R,5R)-4-benzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)-2-methyloxolan-3-yl] benzoate;(2S,3S,4R,5R)-3,4-dibenzoyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolane-2-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5S)-5-(dimethylphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane is sourced from PubChem (CID 162092385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).