About (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate
(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate (PubChem CID 157158825) has the molecular formula C97H114F6N6O58S8
and a molecular weight of 2662.49 g/mol. Its IUPAC name is (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate.
Frequently Asked Questions
What is the IUPAC name of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate?
The IUPAC name of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate (CID 157158825) is (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate.
What is the SMILES notation for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate?
The canonical SMILES for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate is C=C(C)C(=O)OCC(=O)OC1C2CC3(C(F)(F)F)C(O2)C1OS3(=O)=O.C=C(C)C(=O)OCC(=O)OC1C2OS(=O)(=O)C3C2OC1C3C(F)(F)F.C=CC(=O)NCC(=O)OC1(C)C2CC3C(O2)C1OS3(=O)=O.C=CC(=O)NCC(=O)OC1C2CC3C(C)(O2)C1OS3(=O)=O.C=CC(=O)NCC(=O)OC1C2CC3C(O2)C1(C)OS3(=O)=O.C=CC(=O)NCC(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=CC(=O)NCC(=O)OC1C2OC3C1OS(=O)(=O)C3C2C.C=CC(=O)NCC(=O)OC1C2OS(=O)(=O)C3CC1(C)OC23.
What is the InChIKey of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate?
The InChIKey is AMDAJCHSXHICMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13F3O8S.5C12H15NO7S.C11H13NO7S/c1-5(2)11(18)21-4-7(17)23-8-6-3-12(13(14,15)16)10(22-6)9(8)24-25(12,19)20;1-4(2)12(18)21-3-5(17)22-8-7-6(13(14,15)16)11-10(23-7)9(8)24-25(11,19)20;1-3-8(14)13-5-9(15)18-10-6-4-7-12(2,19-6)11(10)20-21(7,16)17;1-3-8(14)13-5-9(15)19-12(2)7-4-6-10(18-7)11(12)20-21(6,16)17;1-3-8(14)13-5-9(15)19-10-6-4-7-11(18-6)12(10,2)20-21(7,16)17;1-3-7(14)13-5-8(15)18-11-10-9-6(21(16,17)20-10)4-12(11,2)19-9;1-3-6(14)13-4-7(15)18-9-8-5(2)12-11(19-8)10(9)20-21(12,16)17;1-2-7(13)12-4-8(14)18-9-5-3-6-10(17-5)11(9)19-20(6,15)16/h6,8-10H,1,3-4H2,2H3;6-11H,1,3H2,2H3;3*3,6-7,10-11H,1,4-5H2,2H3,(H,13,14);3,6,9-11H,1,4-5H2,2H3,(H,13,14);3,5,8-12H,1,4H2,2H3,(H,13,14);2,5-6,9-11H,1,3-4H2,(H,12,13).
What are the key properties of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate?
(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate has a molecular weight of 2662.49 g/mol, XLogP of -7.09, 32 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;[2-[[5,5-dioxo-6-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;[2-[[5,5-dioxo-9-(trifluoromethyl)-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethyl] 2-methylprop-2-enoate;(1-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(2-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(3-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(7-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate;(9-methyl-5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 157158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).