About 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate
2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate (PubChem CID 163537785) has the molecular formula C172H204F39O68S9-9
and a molecular weight of 4388.98 g/mol. Its IUPAC name is 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?
The IUPAC name of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate (CID 163537785) is 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate.
What is the SMILES notation for 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?
The canonical SMILES for 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate is CC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OC1CC2CC(C)CCC2(C)C2CC(OC(C)=O)C3(C)C(C(C)CCC(=O)OCC(F)(F)S(=O)(=O)[O-])CCC3C12.CC(C)(C)C(=O)OC12CC3CC(CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C1)C2=O.CC(CCC(=O)OCC(F)(F)S(=O)(=O)[O-])C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.O=C(CC12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].O=C1C2CC3CC1(O)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1C2CC3CC1CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1OC2C3CC(C2OC(=O)C24CC5CC(CC(C5)C2)C4)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C13.
What is the InChIKey of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?
The InChIKey is DYMCSEDVXVZRNC-UHFFFAOYSA-E. The full InChI is InChI=1S/C31H48F2O9S.C26H36F2O8S.C23H25F5O9S.C19H23F5O8S.C16H19F5O7S.C15H19F5O5S.C14H13F5O9S.C14H15F5O7S.C14H15F5O6S/c1-17-11-12-29(5)21(13-17)14-25(41-19(3)34)28-23-9-8-22(30(23,6)26(15-24(28)29)42-20(4)35)18(2)7-10-27(36)40-16-31(32,33)43(37,38)39;1-14(4-7-22(32)36-13-26(27,28)37(33,34)35)17-5-6-18-23-19(12-21(31)25(17,18)3)24(2)9-8-16(29)10-15(24)11-20(23)30;24-22(25,26)19(23(27,28)38(32,33)34)37-18(30)14-12-4-11-13(14)17(29)35-15(11)16(12)36-20(31)21-5-8-1-9(6-21)3-10(2-8)7-21;1-15(2,3)13(26)32-17-6-9-4-10(11(17)25)7-16(5-9,8-17)14(27)31-12(18(20,21)22)19(23,24)33(28,29)30;17-15(18,19)12(16(20,21)29(24,25)26)28-11(22)7-27-13(23)14-4-8-1-9(5-14)3-10(2-8)6-14;16-14(17,18)12(15(19,20)26(22,23)24)25-11(21)7-13-4-8-1-9(5-13)3-10(2-8)6-13;1-3(20)26-8-4-2-5-6(10(21)27-9(5)8)7(4)11(22)28-12(13(15,16)17)14(18,19)29(23,24)25;15-13(16,17)9(14(18,19)27(23,24)25)26-10(21)11-2-6-1-7(4-11)8(20)12(22,3-6)5-11;15-13(16,17)10(14(18,19)26(22,23)24)25-11(21)12-3-6-1-7(4-12)9(20)8(2-6)5-12/h17-18,21-26,28H,7-16H2,1-6H3,(H,37,38,39);14-15,17-19,23H,4-13H2,1-3H3,(H,33,34,35);8-16,19H,1-7H2,(H,32,33,34);9-10,12H,4-8H2,1-3H3,(H,28,29,30);8-10,12H,1-7H2,(H,24,25,26);8-10,12H,1-7H2,(H,22,23,24);4-9,12H,2H2,1H3,(H,23,24,25);6-7,9,22H,1-5H2,(H,23,24,25);6-8,10H,1-5H2,(H,22,23,24)/p-9.
What are the key properties of 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?
2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate has a molecular weight of 4388.98 g/mol, XLogP of 23.38, 51 rotatable bonds, 1 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(1-adamantyl)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(7,12-diacetyloxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;2-[3-(2,2-dimethylpropanoyloxy)-4-oxoadamantane-1-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-(3-hydroxy-4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate is sourced from PubChem (CID 163537785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).