(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

C103H138F4O33S2 — CID 158795514

IUPAC(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
SMILESCOc1ccc(CCCCS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.COc1ccc(CCS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.Cc1ccc(COc2ccc(CCCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1.OC[C@H]1O[C@@H](OCCCCc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCCCCc2ccc(OCc3ccccc3F)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H29F3O7.C24H32O7.C23H29FO7.C17H26O6S.C15H22O6S/c25-24(26,27)17-6-3-5-16(12-17)14-33-18-9-7-15(8-10-18)4-1-2-11-32-23-22(31)21(30)20(29)19(13-28)34-23;1-16-5-7-18(8-6-16)15-30-19-11-9-17(10-12-19)4-2-3-13-29-24-23(28)22(27)21(26)20(14-25)31-24;24-18-7-2-1-6-16(18)14-30-17-10-8-15(9-11-17)5-3-4-12-29-23-22(28)21(27)20(26)19(13-25)31-23;1-22-12-7-5-11(6-8-12)4-2-3-9-24-17-16(21)15(20)14(19)13(10-18)23-17;1-20-10-4-2-9(3-5-10)6-7-22-15-14(19)13(18)12(17)11(8-16)21-15/h3,5-10,12,19-23,28-31H,1-2,4,11,13-14H2;5-12,20-28H,2-4,13-15H2,1H3;1-2,6-11,19-23,25-28H,3-5,12-14H2;5-8,13-21H,2-4,9-10H2,1H3;2-5,11-19H,6-8H2,1H3/t19-,20-,21+,22-,23-;20-,21-,22+,23-,24-;19-,20-,21+,22-,23-;13-,14-,15+,16-,17+;11-,12-,13+,14-,15+/m11111/s1
InChIKeyISUWJCBJRKZBTM-OUQIUFKQSA-N
MW2044.33 g/mol
LogP6.00
Rot. Bonds44

About (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

(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 (PubChem CID 158795514) has the molecular formula C103H138F4O33S2 and a molecular weight of 2044.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158795514
Molecular FormulaC103H138F4O33S2
Molecular Weight2044.33 g/mol
Exact Mass2042.85
IUPAC Name(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
SMILESCOc1ccc(CCCCS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.COc1ccc(CCS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.Cc1ccc(COc2ccc(CCCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1.OC[C@H]1O[C@@H](OCCCCc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCCCCc2ccc(OCc3ccccc3F)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H29F3O7.C24H32O7.C23H29FO7.C17H26O6S.C15H22O6S/c25-24(26,27)17-6-3-5-16(12-17)14-33-18-9-7-15(8-10-18)4-1-2-11-32-23-22(31)21(30)20(29)19(13-28)34-23;1-16-5-7-18(8-6-16)15-30-19-11-9-17(10-12-19)4-2-3-13-29-24-23(28)22(27)21(26)20(14-25)31-24;24-18-7-2-1-6-16(18)14-30-17-10-8-15(9-11-17)5-3-4-12-29-23-22(28)21(27)20(26)19(13-25)31-23;1-22-12-7-5-11(6-8-12)4-2-3-9-24-17-16(21)15(20)14(19)13(10-18)23-17;1-20-10-4-2-9(3-5-10)6-7-22-15-14(19)13(18)12(17)11(8-16)21-15/h3,5-10,12,19-23,28-31H,1-2,4,11,13-14H2;5-12,20-28H,2-4,13-15H2,1H3;1-2,6-11,19-23,25-28H,3-5,12-14H2;5-8,13-21H,2-4,9-10H2,1H3;2-5,11-19H,6-8H2,1H3/t19-,20-,21+,22-,23-;20-,21-,22+,23-,24-;19-,20-,21+,22-,23-;13-,14-,15+,16-,17+;11-,12-,13+,14-,15+/m11111/s1
InChIKeyISUWJCBJRKZBTM-OUQIUFKQSA-N
XLogP6.00
TPSA524.59 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.33
LogP ≤ 56.00
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

(2S,3R,4R,5S,6R)-2-[3-[(4-ethoxyphenyl)methyl]-4-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)thiane
CID 46203854
[(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 157088410
CID 157088410
CID 157238259
CID 157238259
CID 157550909
CID 157550909
[5-Acetyloxy-2-ethyl-6-[4-[4-[(2-fluorophenyl)methoxy]phenyl]butoxy]-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-ethyl-6-[4-[4-[(3-fluorophenyl)methoxy]phenyl]butoxy]-3-methyloxan-4-yl] acetate;[5-acetyloxy-2-ethyl-6-[4-[4-[(4-fluorophenyl)methoxy]phenyl]butoxy]-3-methyloxan-4-yl] acetate;tris([5-acetyloxy-2-ethyl-6-[4-(4-methoxyphenyl)butoxy]-3-methyloxan-4-yl] acetate);[5-acetyloxy-2-ethyl-3-methyl-6-[4-[4-(oxetan-3-ylmethoxy)phenyl]butoxy]oxan-4-yl] acetate;[5-acetyloxy-2-ethyl-3-methyl-6-[4-(4-propan-2-yloxyphenyl)butoxy]oxan-4-yl] acetate;[5-acetyloxy-2-ethyl-3-methyl-6-[4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]butoxy]oxan-4-yl] acetate;[5-acetyloxy-2-ethyl-3-methyl-6-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]butoxy]oxan-4-yl] acetate
CID 157809048
CID 157849007
CID 157849007
2-[4-(2,2-Difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(3,4-difluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[3-fluoro-4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;bis(2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane);2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-dioxane;5-[2-(4-methylcyclohexyl)ethyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane
CID 158584284
CID 158617123
CID 158617123
CID 158775428
CID 158775428
2-[4-(2,2-Difluoroethenyl)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(2,2-difluoroethenyl)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3,5-difluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)-3-fluorophenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(difluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane;2-[4-(1,2,2,3,3,3-hexafluoropropoxy)phenyl]-5-[2-(4-methylcyclohexyl)ethyl]-1,3-dioxane
CID 158809230
CID 158917595
CID 158917595

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(CCCCS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.COc1ccc(CCS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.Cc1ccc(COc2ccc(CCCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1.OC[C@H]1O[C@@H](OCCCCc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCCCCc2ccc(OCc3ccccc3F)cc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is ISUWJCBJRKZBTM-OUQIUFKQSA-N. The full InChI is InChI=1S/C24H29F3O7.C24H32O7.C23H29FO7.C17H26O6S.C15H22O6S/c25-24(26,27)17-6-3-5-16(12-17)14-33-18-9-7-15(8-10-18)4-1-2-11-32-23-22(31)21(30)20(29)19(13-28)34-23;1-16-5-7-18(8-6-16)15-30-19-11-9-17(10-12-19)4-2-3-13-29-24-23(28)22(27)21(26)20(14-25)31-24;24-18-7-2-1-6-16(18)14-30-17-10-8-15(9-11-17)5-3-4-12-29-23-22(28)21(27)20(26)19(13-25)31-23;1-22-12-7-5-11(6-8-12)4-2-3-9-24-17-16(21)15(20)14(19)13(10-18)23-17;1-20-10-4-2-9(3-5-10)6-7-22-15-14(19)13(18)12(17)11(8-16)21-15/h3,5-10,12,19-23,28-31H,1-2,4,11,13-14H2;5-12,20-28H,2-4,13-15H2,1H3;1-2,6-11,19-23,25-28H,3-5,12-14H2;5-8,13-21H,2-4,9-10H2,1H3;2-5,11-19H,6-8H2,1H3/t19-,20-,21+,22-,23-;20-,21-,22+,23-,24-;19-,20-,21+,22-,23-;13-,14-,15+,16-,17+;11-,12-,13+,14-,15+/m11111/s1.
What are the key properties of (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?
(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 has a molecular weight of 2044.33 g/mol, XLogP of 6.00, 44 rotatable bonds, 20 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158795514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).