(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol

C158H188F6O28S6 — CID 162008250

IUPAC(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol
SMILESCCc1ccc(C2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2=CCC(F)(F)CC2)cc1.COc1ccc(C2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2=CCC(F)(F)CC2)cc1.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCC(F)(F)CC4)cc3)c2)C(O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCC5(CC4)OCCO5)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCCCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCOCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C28H34O6S.C27H32F2O4S.C26H30F2O5S.C26H30F2O4S.C26H32O4S.C25H30O5S/c1-17-3-6-21(26-24(30)23(29)25(31)27(34-26)35-2)16-22(17)15-18-4-7-19(8-5-18)20-9-11-28(12-10-20)32-13-14-33-28;1-3-17-8-9-20(25-23(31)22(30)24(32)26(33-25)34-2)15-21(17)14-16-4-6-18(7-5-16)19-10-12-27(28,29)13-11-19;1-32-20-8-7-18(24-22(30)21(29)23(31)25(33-24)34-2)14-19(20)13-15-3-5-16(6-4-15)17-9-11-26(27,28)12-10-17;1-15-3-6-19(24-22(30)21(29)23(31)25(32-24)33-2)14-20(15)13-16-4-7-17(8-5-16)18-9-11-26(27,28)12-10-18;1-16-8-11-20(25-23(28)22(27)24(29)26(30-25)31-2)15-21(16)14-17-9-12-19(13-10-17)18-6-4-3-5-7-18;1-15-3-6-19(24-22(27)21(26)23(28)25(30-24)31-2)14-20(15)13-16-4-7-17(8-5-16)18-9-11-29-12-10-18/h3-9,16,23-27,29-31H,10-15H2,1-2H3;4-10,15,22-26,30-32H,3,11-14H2,1-2H3;3-9,14,21-25,29-31H,10-13H2,1-2H3;3-9,14,21-25,29-31H,10-13H2,1-2H3;6,8-13,15,22-29H,3-5,7,14H2,1-2H3;3-9,14,21-28H,10-13H2,1-2H3/t23-,24-,25+,26?,27-;22-,23-,24+,25?,26-;21-,22-,23+,24?,25-;21-,22?,23+,24?,25-;22-,23-,24+,25?,26-;21-,22-,23+,24?,25-/m111111/s1
InChIKeyYTCXIQVPIPZIEJ-BQRDAKJOSA-N
MW2841.60 g/mol
LogP25.21
Rot. Bonds32

About (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol

(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol (PubChem CID 162008250) has the molecular formula C158H188F6O28S6 and a molecular weight of 2841.60 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol
PubChem CID162008250
Molecular FormulaC158H188F6O28S6
Molecular Weight2841.60 g/mol
Exact Mass2839.15
IUPAC Name(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol
SMILESCCc1ccc(C2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2=CCC(F)(F)CC2)cc1.COc1ccc(C2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2=CCC(F)(F)CC2)cc1.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCC(F)(F)CC4)cc3)c2)C(O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCC5(CC4)OCCO5)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCCCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCOCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C28H34O6S.C27H32F2O4S.C26H30F2O5S.C26H30F2O4S.C26H32O4S.C25H30O5S/c1-17-3-6-21(26-24(30)23(29)25(31)27(34-26)35-2)16-22(17)15-18-4-7-19(8-5-18)20-9-11-28(12-10-20)32-13-14-33-28;1-3-17-8-9-20(25-23(31)22(30)24(32)26(33-25)34-2)15-21(17)14-16-4-6-18(7-5-16)19-10-12-27(28,29)13-11-19;1-32-20-8-7-18(24-22(30)21(29)23(31)25(33-24)34-2)14-19(20)13-15-3-5-16(6-4-15)17-9-11-26(27,28)12-10-17;1-15-3-6-19(24-22(30)21(29)23(31)25(32-24)33-2)14-20(15)13-16-4-7-17(8-5-16)18-9-11-26(27,28)12-10-18;1-16-8-11-20(25-23(28)22(27)24(29)26(30-25)31-2)15-21(16)14-17-9-12-19(13-10-17)18-6-4-3-5-7-18;1-15-3-6-19(24-22(27)21(26)23(28)25(30-24)31-2)14-20(15)13-16-4-7-17(8-5-16)18-9-11-29-12-10-18/h3-9,16,23-27,29-31H,10-15H2,1-2H3;4-10,15,22-26,30-32H,3,11-14H2,1-2H3;3-9,14,21-25,29-31H,10-13H2,1-2H3;3-9,14,21-25,29-31H,10-13H2,1-2H3;6,8-13,15,22-29H,3-5,7,14H2,1-2H3;3-9,14,21-28H,10-13H2,1-2H3/t23-,24-,25+,26?,27-;22-,23-,24+,25?,26-;21-,22-,23+,24?,25-;21-,22?,23+,24?,25-;22-,23-,24+,25?,26-;21-,22-,23+,24?,25-/m111111/s1
InChIKeyYTCXIQVPIPZIEJ-BQRDAKJOSA-N
XLogP25.21
TPSA456.44 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002841.60
LogP ≤ 525.21
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Analyze (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol with MolForge

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Related Compounds

[(2R,3S,5R,6S)-6-[3-[(4-ethoxy-3-fluorophenyl)methyl]-4-methylphenyl]-6-methoxy-3,5-bis(phenylmethoxy)-2-(sulfanylmethyl)oxan-2-yl]methanol
CID 144764416
CID 157849007
CID 157849007
1-(3,4-Dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;2-(2-hydroxy-2-phenylethyl)sulfanyl-1-phenylethanol;methane
CID 158224110
(2R,3R,4S,5S,6R)-2-[4-[4-[(2-fluorophenyl)methoxy]phenyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)butylsulfanyl]oxane-3,4,5-triol;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)ethylsulfanyl]oxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[4-[(4-methylphenyl)methoxy]phenyl]butoxy]oxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]butoxy]oxane-3,4,5-triol
CID 158795514
7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;4-methoxy-3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromene;6-methoxy-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 159632150
7,8-dimethoxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-ol;7,8-dimethoxy-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3,6-dimethyl-3-phenyl-1,4-dihydroisothiochromen-4-ol;7-fluoro-3-(4-methoxyphenyl)-1H-isothiochromen-4-ol;3-(4-hydroxyphenyl)-7,8-dimethoxy-1-methyl-3,4-dihydro-1H-isothiochromen-4-ol;3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol;6-methyl-3-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 159653479
(3R,4S,5S,6R)-2-[2-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]-4,6-difluorophenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-2-[2,4-difluoro-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S,3R,4S,5S,6R)-2-[2,4-difluoro-6-[(E)-2-phenylethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[2-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-1-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160024558
(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol
CID 160301054
(3R,4S,5S,6R)-2-[3-[(E)-2-[2-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-[3-(1,1-difluoroethyl)phenyl]ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(3R,4S,5S,6R)-2-[3-[(E)-2-(2-fluorophenyl)ethenyl]naphthalen-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(E)-2-phenylethenyl]naphthalen-1-yl]oxyoxane-3,4,5-triol
CID 160667590
1-(3,4-Dimethylphenyl)-2-[2-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;2-(2-hydroxy-2-phenylethyl)sulfanyl-1-phenylethanol
CID 160698672
6-[4,5-Dihydroxy-2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)butoxy]oxan-3-yl]oxy-2,5-bis(hydroxymethyl)oxane-3,4-diol;2-[4-(4,4-dimethyl-2,3-dihydrochromen-6-yl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-[4-[4-[(2-fluorophenyl)methoxy]phenyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-[4-(4-hexadecoxyphenyl)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-(hydroxymethyl)-6-[4-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]butoxy]oxane-3,4,5-triol;2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)butoxy]oxane-3,4,5-triol;2-(hydroxymethyl)-6-[4-(4-methoxyphenyl)butylsulfanyl]oxane-3,4,5-triol;2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)ethylsulfanyl]oxane-3,4,5-triol;2-(hydroxymethyl)-6-[4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]butoxy]oxane-3,4,5-triol;methane
CID 161071952
2-[2-[3,5-Bis(trifluoromethyl)phenyl]-2-propylperoxyethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol;1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]sulfanylethanol;4-[1-hydroxy-2-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]sulfanylethyl]-2-methylphenol;2-[2-hydroxy-2-[3-(hydroxymethyl)-2-methoxyphenyl]ethyl]sulfanyl-1-(2-methoxy-3-methylphenyl)ethanol;bis(2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-1-(4-methylphenyl)ethanol);2-[2-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]sulfanyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanol
CID 161169063

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol?
The IUPAC name of (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol (CID 162008250) is (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol is CCc1ccc(C2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2=CCC(F)(F)CC2)cc1.COc1ccc(C2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2=CCC(F)(F)CC2)cc1.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCC(F)(F)CC4)cc3)c2)C(O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCC5(CC4)OCCO5)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCCCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.CS[C@H]1OC(c2ccc(C)c(Cc3ccc(C4=CCOCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol?
The InChIKey is YTCXIQVPIPZIEJ-BQRDAKJOSA-N. The full InChI is InChI=1S/C28H34O6S.C27H32F2O4S.C26H30F2O5S.C26H30F2O4S.C26H32O4S.C25H30O5S/c1-17-3-6-21(26-24(30)23(29)25(31)27(34-26)35-2)16-22(17)15-18-4-7-19(8-5-18)20-9-11-28(12-10-20)32-13-14-33-28;1-3-17-8-9-20(25-23(31)22(30)24(32)26(33-25)34-2)15-21(17)14-16-4-6-18(7-5-16)19-10-12-27(28,29)13-11-19;1-32-20-8-7-18(24-22(30)21(29)23(31)25(33-24)34-2)14-19(20)13-15-3-5-16(6-4-15)17-9-11-26(27,28)12-10-17;1-15-3-6-19(24-22(30)21(29)23(31)25(32-24)33-2)14-20(15)13-16-4-7-17(8-5-16)18-9-11-26(27,28)12-10-18;1-16-8-11-20(25-23(28)22(27)24(29)26(30-25)31-2)15-21(16)14-17-9-12-19(13-10-17)18-6-4-3-5-7-18;1-15-3-6-19(24-22(27)21(26)23(28)25(30-24)31-2)14-20(15)13-16-4-7-17(8-5-16)18-9-11-29-12-10-18/h3-9,16,23-27,29-31H,10-15H2,1-2H3;4-10,15,22-26,30-32H,3,11-14H2,1-2H3;3-9,14,21-25,29-31H,10-13H2,1-2H3;3-9,14,21-25,29-31H,10-13H2,1-2H3;6,8-13,15,22-29H,3-5,7,14H2,1-2H3;3-9,14,21-28H,10-13H2,1-2H3/t23-,24-,25+,26?,27-;22-,23-,24+,25?,26-;21-,22-,23+,24?,25-;21-,22?,23+,24?,25-;22-,23-,24+,25?,26-;21-,22-,23+,24?,25-/m111111/s1.
What are the key properties of (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol?
(3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol has a molecular weight of 2841.60 g/mol, XLogP of 25.21, 32 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2-[3-[[4-(cyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-ethylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methoxyphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol;(3R,4R,5S,6R)-2-[3-[[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methyl]-4-methylphenyl]-6-methylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 162008250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).