About [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
[(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (PubChem CID 161328930) has the molecular formula C90H98F7N15O70P10
and a molecular weight of 2952.53 g/mol. Its IUPAC name is [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
Frequently Asked Questions
What is the IUPAC name of [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
The IUPAC name of [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (CID 161328930) is [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.
What is the SMILES notation for [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
The canonical SMILES for [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is COc1ccc2c(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)noc2c1.COc1ccc2onc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2c1.COc1cccc2c(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)noc12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1noc2cc(OC(F)(F)F)ccc12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1noc2ccc(F)c(OC(F)(F)F)c12.
What is the InChIKey of [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
The InChIKey is VLDQUWLJVQSBJA-RWPJSZLSSA-N. The full InChI is InChI=1S/C18H17F4N3O14P2.C18H18F3N3O14P2.3C18H21N3O14P2/c19-7-1-2-9-12(15(7)37-18(20,21)22)8(23-38-9)5-25-11(26)3-4-24(17(25)29)16-14(28)13(27)10(36-16)6-35-41(33,34)39-40(30,31)32;19-18(20,21)36-8-1-2-9-10(22-37-11(9)5-8)6-24-13(25)3-4-23(17(24)28)16-15(27)14(26)12(35-16)7-34-40(32,33)38-39(29,30)31;1-31-9-2-3-12-10(6-9)11(19-34-12)7-21-14(22)4-5-20(18(21)25)17-16(24)15(23)13(33-17)8-32-37(29,30)35-36(26,27)28;1-31-9-2-3-10-11(19-34-12(10)6-9)7-21-14(22)4-5-20(18(21)25)17-16(24)15(23)13(33-17)8-32-37(29,30)35-36(26,27)28;1-31-11-4-2-3-9-10(19-34-16(9)11)7-21-13(22)5-6-20(18(21)25)17-15(24)14(23)12(33-17)8-32-37(29,30)35-36(26,27)28/h1-4,10,13-14,16,27-28H,5-6H2,(H,33,34)(H2,30,31,32);1-5,12,14-16,26-27H,6-7H2,(H,32,33)(H2,29,30,31);2*2-6,13,15-17,23-24H,7-8H2,1H3,(H,29,30)(H2,26,27,28);2-6,12,14-15,17,23-24H,7-8H2,1H3,(H,29,30)(H2,26,27,28)/t10-,13?,14?,16-;12-,14?,15?,16-;2*13-,15?,16?,17-;12-,14?,15?,17-/m11111/s1.
What are the key properties of [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate?
[(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate has a molecular weight of 2952.53 g/mol, XLogP of -2.81, 45 rotatable bonds, 25 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3,4-dihydroxy-5-[3-[(5-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-3,4-dihydroxy-5-[3-[(7-methoxy-1,2-benzoxazol-3-yl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[2,4-dioxo-3-[[6-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;[(2R,5R)-5-[3-[[5-fluoro-4-(trifluoromethoxy)-1,2-benzoxazol-3-yl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate is sourced from PubChem (CID 161328930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).