About 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate
5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate (PubChem CID 160535494) has the molecular formula C114H156Cl5N3O23S4
and a molecular weight of 2242.03 g/mol. Its IUPAC name is 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate?
The IUPAC name of 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate (CID 160535494) is 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate.
What is the SMILES notation for 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate?
The canonical SMILES for 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate is CCCCCC(O)c1ccc(N2C(=O)COC2CCCc2ccc(C(=O)OC(C)C)s2)cc1.CCCCCC(O)c1ccc(N2C(=O)NC(=O)C2CCCc2ccc(C(=O)OC(C)C)s2)cc1.C[C@@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]1O.C[C@@H](O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCc2ccc(C(=O)O)s2)[C@H](Cl)C[C@H]1O.O=C(O)c1ccc(CCC[C@@H]2[C@@H](CCc3cc(Cl)cc(Cl)c3)[C@H](O)C[C@H]2Cl)s1.
What is the InChIKey of 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate?
The InChIKey is QWCFFVVQCUJGES-LFKNRJSSSA-N. The full InChI is InChI=1S/C26H34N2O5S.C26H35NO5S.C21H23Cl3O3S.C21H31ClO5S.C20H33ClO5/c1-4-5-6-10-22(29)18-11-13-19(14-12-18)28-21(24(30)27-26(28)32)9-7-8-20-15-16-23(34-20)25(31)33-17(2)3;1-4-5-6-9-22(28)19-11-13-20(14-12-19)27-24(29)17-31-25(27)10-7-8-21-15-16-23(33-21)26(30)32-18(2)3;22-13-8-12(9-14(23)10-13)4-6-17-16(18(24)11-19(17)25)3-1-2-15-5-7-20(28-15)21(26)27;1-13(23)4-2-5-14(24)8-10-17-16(18(22)12-19(17)25)7-3-6-15-9-11-20(28-15)21(26)27;1-14(22)7-6-8-15(23)11-12-17-16(18(21)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-17,21-22,29H,4-10H2,1-3H3,(H,27,30,32);11-16,18,22,25,28H,4-10,17H2,1-3H3;5,7-10,16-19,25H,1-4,6,11H2,(H,26,27);8-11,13-14,16-19,23-25H,2-7,12H2,1H3,(H,26,27);2,4,11-12,14-19,22-24H,3,5-10,13H2,1H3,(H,25,26)/b;;;10-8+;4-2-,12-11+/t;;16-,17-,18-,19-;13-,14+,16-,17-,18-,19-;14-,15+,16-,17-,18-,19-/m..111/s1.
What are the key properties of 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate?
5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate has a molecular weight of 2242.03 g/mol, XLogP of 24.43, 55 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;(Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propyl]thiophene-2-carboxylate;propan-2-yl 5-[3-[3-[4-(1-hydroxyhexyl)phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 160535494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).