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

C222H333F5O77S2 — CID 161071952

IUPAC6-[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
SMILESC.CC1(C)CCOc2ccc(CCCCOC3OC(CO)C(O)C(O)C3O)cc21.CCCCCCCCCCCCCCCCOc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COCCOCCOCCOCCOc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCCCOC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CO)C(O)C2O)cc1.COc1ccc(CCCCSC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCSC2OC(CO)C(O)C(O)C2O)cc1.OCC1OC(OCCCCc2ccc(OCc3ccc(F)cc3)cc2)C(O)C(O)C1O.OCC1OC(OCCCCc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C(O)C(O)C1O.OCC1OC(OCCCCc2ccc(OCc3ccccc3F)cc2)C(O)C(O)C1O
InChIInChI=1S/C32H56O7.C25H42O11.C24H29F3O7.C24H38O12.2C23H29FO7.C21H32O7.C17H26O7.C17H26O6S.C15H22O6S.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-37-27-21-19-26(20-22-27)18-15-17-24-38-32-31(36)30(35)29(34)28(25-33)39-32;1-30-10-11-31-12-13-32-14-15-33-16-17-34-20-7-5-19(6-8-20)4-2-3-9-35-25-24(29)23(28)22(27)21(18-26)36-25;25-24(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;1-32-14-7-5-13(6-8-14)4-2-3-9-33-24-21(31)20(30)22(17(12-27)35-24)36-23-15(10-25)18(28)19(29)16(11-26)34-23;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;24-17-8-4-16(5-9-17)14-30-18-10-6-15(7-11-18)3-1-2-12-29-23-22(28)21(27)20(26)19(13-25)31-23;1-21(2)8-10-26-15-7-6-13(11-14(15)21)5-3-4-9-27-20-19(25)18(24)17(23)16(12-22)28-20;1-22-12-7-5-11(6-8-12)4-2-3-9-23-17-16(21)15(20)14(19)13(10-18)24-17;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;/h19-22,28-36H,2-18,23-25H2,1H3;5-8,21-29H,2-4,9-18H2,1H3;3,5-10,12,19-23,28-31H,1-2,4,11,13-14H2;5-8,15-31H,2-4,9-12H2,1H3;1-2,6-11,19-23,25-28H,3-5,12-14H2;4-11,19-23,25-28H,1-3,12-14H2;6-7,11,16-20,22-25H,3-5,8-10,12H2,1-2H3;2*5-8,13-21H,2-4,9-10H2,1H3;2-5,11-19H,6-8H2,1H3;1H4
InChIKeyUETVAJKEYDHUTI-UHFFFAOYSA-N
MW4393.15 g/mol
LogP10.68
Rot. Bonds114

About 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

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 (PubChem CID 161071952) has the molecular formula C222H333F5O77S2 and a molecular weight of 4393.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID161071952
Molecular FormulaC222H333F5O77S2
Molecular Weight4393.15 g/mol
Exact Mass4390.15
IUPAC Name6-[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
SMILESC.CC1(C)CCOc2ccc(CCCCOC3OC(CO)C(O)C(O)C3O)cc21.CCCCCCCCCCCCCCCCOc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COCCOCCOCCOCCOc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCCCOC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CO)C(O)C2O)cc1.COc1ccc(CCCCSC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCSC2OC(CO)C(O)C(O)C2O)cc1.OCC1OC(OCCCCc2ccc(OCc3ccc(F)cc3)cc2)C(O)C(O)C1O.OCC1OC(OCCCCc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C(O)C(O)C1O.OCC1OC(OCCCCc2ccc(OCc3ccccc3F)cc2)C(O)C(O)C1O
InChIInChI=1S/C32H56O7.C25H42O11.C24H29F3O7.C24H38O12.2C23H29FO7.C21H32O7.C17H26O7.C17H26O6S.C15H22O6S.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-37-27-21-19-26(20-22-27)18-15-17-24-38-32-31(36)30(35)29(34)28(25-33)39-32;1-30-10-11-31-12-13-32-14-15-33-16-17-34-20-7-5-19(6-8-20)4-2-3-9-35-25-24(29)23(28)22(27)21(18-26)36-25;25-24(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;1-32-14-7-5-13(6-8-14)4-2-3-9-33-24-21(31)20(30)22(17(12-27)35-24)36-23-15(10-25)18(28)19(29)16(11-26)34-23;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;24-17-8-4-16(5-9-17)14-30-18-10-6-15(7-11-18)3-1-2-12-29-23-22(28)21(27)20(26)19(13-25)31-23;1-21(2)8-10-26-15-7-6-13(11-14(15)21)5-3-4-9-27-20-19(25)18(24)17(23)16(12-22)28-20;1-22-12-7-5-11(6-8-12)4-2-3-9-23-17-16(21)15(20)14(19)13(10-18)24-17;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;/h19-22,28-36H,2-18,23-25H2,1H3;5-8,21-29H,2-4,9-18H2,1H3;3,5-10,12,19-23,28-31H,1-2,4,11,13-14H2;5-8,15-31H,2-4,9-12H2,1H3;1-2,6-11,19-23,25-28H,3-5,12-14H2;4-11,19-23,25-28H,1-3,12-14H2;6-7,11,16-20,22-25H,3-5,8-10,12H2,1-2H3;2*5-8,13-21H,2-4,9-10H2,1H3;2-5,11-19H,6-8H2,1H3;1H4
InChIKeyUETVAJKEYDHUTI-UHFFFAOYSA-N
XLogP10.68
TPSA1183.71 Ų
H-Bond Donors43
H-Bond Acceptors79
Rotatable Bonds114
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004393.15
LogP ≤ 510.68
H-Bond Donors ≤ 543
H-Bond Acceptors ≤ 1079

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-methoxymethoxy-3-(4-methoxymethoxyphenyl)-3-methyl-4-(4-(3-(2-(4,4,5,5,5-pentafluoropentylthio)ethoxy)-(R)-2-hydroxypropyloxy)phenyl)chroman
CID 20599264
1-[4-[7-(Methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]-3-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propan-2-ol
CID 22033042
(2S)-1-[4-[7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]-3-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propan-2-ol
CID 87901912
(2R)-1-[4-[3-(2,4-dimethoxyphenyl)-7-(methoxymethoxy)-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]-3-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propan-2-ol
CID 88121039
1-[4-[7-(Methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-3-methyl-2,4-dihydrochromen-4-yl]phenoxy]-1-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propan-2-ol
CID 91370209
4-[4-[2-Hydroxy-1-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propoxy]phenyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol
CID 91410273
4-[4-[(2R)-2-hydroxy-3-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethoxy]propoxy]phenyl]-3-[4-(methoxymethoxy)phenyl]-3-methyl-2,4-dihydrochromen-7-ol
CID 140213969
ethanol;(3S,4S)-3-(4-hydroxyphenyl)-4-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-3,4-dihydro-2H-chromen-7-ol;(3S,4S)-7-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]-4-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-3,4-dihydro-2H-chromene
CID 157137738
4-[(4-Butoxyphenyl)-difluoromethoxy]-2-tert-butyl-6-propan-2-ylphenol;2,6-ditert-butyl-4-[difluoro-(6-heptylthian-3-yl)methoxy]phenol;2,6-ditert-butyl-4-[difluoro-(5-pentyloxan-2-yl)methoxy]phenol;2,6-ditert-butyl-4-[difluoro-(4-pentylphenyl)methoxy]phenol;4-[difluoro-(4-heptylphenyl)methoxy]-2,6-dimethylphenol;4-[difluoro-(4-pentylphenyl)methoxy]-2,6-di(propan-2-yl)phenol;4-[difluoro-(4-propylphenyl)methoxy]-2,6-diethylphenol
CID 157789882
CID 157849007
CID 157849007
(3S,4S)-7-(methoxymethoxy)-3-methyl-3-(4-methylphenyl)-4-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,4-dihydrochromene;(3S,4S)-3-methyl-3-(4-methylphenyl)-4-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-2,4-dihydrochromen-7-ol
CID 158026050
3,3-difluoro-6-methyl-2,4-dihydrochromene;4,4-difluoro-6-methyl-2,3-dihydrochromene;2,6-dimethyl-3,4-dihydro-2H-chromene;3,6-dimethyl-3,4-dihydro-2H-chromene;4,6-dimethyl-3,4-dihydro-2H-chromene;3-fluoro-6-methyl-3,4-dihydro-2H-chromene;4-fluoro-6-methyl-3,4-dihydro-2H-chromene;6-methyl-3,4-dihydro-2H-chromen-3-ol;2,2,6-trimethyl-3,4-dihydrochromene;3,3,6-trimethyl-2,4-dihydrochromene
CID 158049368

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC1(C)CCOc2ccc(CCCCOC3OC(CO)C(O)C(O)C3O)cc21.CCCCCCCCCCCCCCCCOc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COCCOCCOCCOCCOc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCCCOC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCCCOC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CO)C(O)C2O)cc1.COc1ccc(CCCCSC2OC(CO)C(O)C(O)C2O)cc1.COc1ccc(CCSC2OC(CO)C(O)C(O)C2O)cc1.OCC1OC(OCCCCc2ccc(OCc3ccc(F)cc3)cc2)C(O)C(O)C1O.OCC1OC(OCCCCc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C(O)C(O)C1O.OCC1OC(OCCCCc2ccc(OCc3ccccc3F)cc2)C(O)C(O)C1O.
What is the InChIKey of 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?
The InChIKey is UETVAJKEYDHUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O7.C25H42O11.C24H29F3O7.C24H38O12.2C23H29FO7.C21H32O7.C17H26O7.C17H26O6S.C15H22O6S.CH4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-37-27-21-19-26(20-22-27)18-15-17-24-38-32-31(36)30(35)29(34)28(25-33)39-32;1-30-10-11-31-12-13-32-14-15-33-16-17-34-20-7-5-19(6-8-20)4-2-3-9-35-25-24(29)23(28)22(27)21(18-26)36-25;25-24(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;1-32-14-7-5-13(6-8-14)4-2-3-9-33-24-21(31)20(30)22(17(12-27)35-24)36-23-15(10-25)18(28)19(29)16(11-26)34-23;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;24-17-8-4-16(5-9-17)14-30-18-10-6-15(7-11-18)3-1-2-12-29-23-22(28)21(27)20(26)19(13-25)31-23;1-21(2)8-10-26-15-7-6-13(11-14(15)21)5-3-4-9-27-20-19(25)18(24)17(23)16(12-22)28-20;1-22-12-7-5-11(6-8-12)4-2-3-9-23-17-16(21)15(20)14(19)13(10-18)24-17;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;/h19-22,28-36H,2-18,23-25H2,1H3;5-8,21-29H,2-4,9-18H2,1H3;3,5-10,12,19-23,28-31H,1-2,4,11,13-14H2;5-8,15-31H,2-4,9-12H2,1H3;1-2,6-11,19-23,25-28H,3-5,12-14H2;4-11,19-23,25-28H,1-3,12-14H2;6-7,11,16-20,22-25H,3-5,8-10,12H2,1-2H3;2*5-8,13-21H,2-4,9-10H2,1H3;2-5,11-19H,6-8H2,1H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 4393.15 g/mol, XLogP of 10.68, 114 rotatable bonds, 43 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161071952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).