About 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid
4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 158325315) has the molecular formula C119H134Cl14F3N3O20S5
and a molecular weight of 2640.05 g/mol. Its IUPAC name is 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid (CID 158325315) is 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid is Cc1c(C(=O)O)sc(CCC[C@@H]2[C@@H](/C=C/c3cccc(F)c3)[C@H](O)C[C@H]2Cl)c1Cl.O=C(O)CCCCCC[C@@H]1[C@@H](/C=C/c2cc(Cl)cc(CO)c2)[C@H](O)C[C@H]1Cl.O=C(O)CSCCCC[C@@H]1[C@@H](/C=C/c2cc(Cl)cc(Cl)c2)[C@H](O)C[C@H]1Cl.O=C(O)CSCCCC[C@@H]1[C@@H](C=Cc2cc(Cl)nc(Cl)c2)[C@H](O)C[C@H]1Cl.O=C(O)c1ccc(CCC[C@@H]2[C@@H](C=Cc3cc(Cl)nc(Cl)c3)[C@H](O)C[C@H]2Cl)o1.O=C(O)c1cnc(SCC[C@@H]2[C@@H](/C=C/c3cc(F)cc(F)c3)[C@H](O)C[C@H]2Cl)s1.
What is the InChIKey of 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is GPIIEVNGKQEHJL-KIPOWROGSA-N. The full InChI is InChI=1S/C22H23Cl2FO3S.C21H28Cl2O4.C20H20Cl3NO4.C19H23Cl3O3S.C19H18ClF2NO3S2.C18H22Cl3NO3S/c1-12-20(24)19(29-21(12)22(27)28)7-3-6-15-16(18(26)11-17(15)23)9-8-13-4-2-5-14(25)10-13;22-16-10-14(9-15(11-16)13-24)7-8-18-17(19(23)12-20(18)25)5-3-1-2-4-6-21(26)27;21-15-10-16(25)14(6-4-11-8-18(22)24-19(23)9-11)13(15)3-1-2-12-5-7-17(28-12)20(26)27;20-13-7-12(8-14(21)9-13)4-5-16-15(17(22)10-18(16)23)3-1-2-6-26-11-19(24)25;20-15-8-16(24)14(2-1-10-5-11(21)7-12(22)6-10)13(15)3-4-27-19-23-9-17(28-19)18(25)26;19-14-9-15(23)13(5-4-11-7-16(20)22-17(21)8-11)12(14)3-1-2-6-26-10-18(24)25/h2,4-5,8-10,15-18,26H,3,6-7,11H2,1H3,(H,27,28);7-11,17-20,24-25H,1-6,12-13H2,(H,26,27);4-9,13-16,25H,1-3,10H2,(H,26,27);4-5,7-9,15-18,23H,1-3,6,10-11H2,(H,24,25);1-2,5-7,9,13-16,24H,3-4,8H2,(H,25,26);4-5,7-8,12-15,23H,1-3,6,9-10H2,(H,24,25)/b9-8+;8-7+;;5-4+;2-1+;/t15-,16-,17-,18-;17-,18-,19-,20-;13-,14-,15-,16-;15-,16-,17-,18-;13-,14-,15-,16-;12-,13-,14-,15-/m111111/s1.
What are the key properties of 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid?
4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 2640.05 g/mol, XLogP of 31.90, 49 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[3-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3-fluorophenyl)ethenyl]-3-hydroxycyclopentyl]propyl]-3-methylthiophene-2-carboxylic acid;7-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-[3-chloro-5-(hydroxymethyl)phenyl]ethenyl]-3-hydroxycyclopentyl]heptanoic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-dichlorophenyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;2-[4-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]butylsulfanyl]acetic acid;5-[3-[(1R,2R,3R,5R)-5-chloro-2-[2-(2,6-dichloro-4-pyridinyl)ethenyl]-3-hydroxycyclopentyl]propyl]furan-2-carboxylic acid;2-[2-[(1R,2R,3R,5R)-5-chloro-2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxycyclopentyl]ethylsulfanyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 158325315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).