1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid

C110H134F4O31S4 — CID 164995525

IUPAC1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid
SMILESCC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)OCC(F)S(=O)(=O)O)(C3)C1)C2.CC(C)(C)OC(=O)c1ccc(-c2cc(-c3ccccc3)c(S(=O)(=O)O)c(-c3ccccc3)c2)cc1.COC(OC12CC3CC(CC(COC(=O)OCC(F)S(=O)(=O)O)(C3)C1)C2)C(C)(C)C.COCOC12CC3CC(CC(COC(=O)C(C)(F)F)(C3)C1)C2.COCOc1ccc(-c2cc(-c3ccccc3)c(S(=O)(=O)O)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H26O5S.C26H22O5S.C20H33FO8S.C19H29FO9S.C16H24F2O4/c1-29(2,3)34-28(30)23-16-14-20(15-17-23)24-18-25(21-10-6-4-7-11-21)27(35(31,32)33)26(19-24)22-12-8-5-9-13-22;1-30-18-31-23-14-12-19(13-15-23)22-16-24(20-8-4-2-5-9-20)26(32(27,28)29)25(17-22)21-10-6-3-7-11-21;1-18(2,3)16(26-4)29-20-8-13-5-14(9-20)7-19(6-13,11-20)12-28-17(22)27-10-15(21)30(23,24)25;1-17(2,3)28-16(22)29-19-7-12-4-13(8-19)6-18(5-12,10-19)11-27-15(21)26-9-14(20)30(23,24)25;1-14(17,18)13(19)21-9-15-4-11-3-12(5-15)7-16(6-11,8-15)22-10-20-2/h4-19H,1-3H3,(H,31,32,33);2-17H,18H2,1H3,(H,27,28,29);13-16H,5-12H2,1-4H3,(H,23,24,25);12-14H,4-11H2,1-3H3,(H,23,24,25);11-12H,3-10H2,1-2H3
InChIKeyHMSMVLXWWWBORR-UHFFFAOYSA-N
MW2156.51 g/mol
LogP23.26
Rot. Bonds32

About 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid

1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid (PubChem CID 164995525) has the molecular formula C110H134F4O31S4 and a molecular weight of 2156.51 g/mol. Its IUPAC name is 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid.

Molecular Properties

Compound Name1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid
PubChem CID164995525
Molecular FormulaC110H134F4O31S4
Molecular Weight2156.51 g/mol
Exact Mass2154.77
IUPAC Name1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid
SMILESCC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)OCC(F)S(=O)(=O)O)(C3)C1)C2.CC(C)(C)OC(=O)c1ccc(-c2cc(-c3ccccc3)c(S(=O)(=O)O)c(-c3ccccc3)c2)cc1.COC(OC12CC3CC(CC(COC(=O)OCC(F)S(=O)(=O)O)(C3)C1)C2)C(C)(C)C.COCOC12CC3CC(CC(COC(=O)C(C)(F)F)(C3)C1)C2.COCOc1ccc(-c2cc(-c3ccccc3)c(S(=O)(=O)O)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H26O5S.C26H22O5S.C20H33FO8S.C19H29FO9S.C16H24F2O4/c1-29(2,3)34-28(30)23-16-14-20(15-17-23)24-18-25(21-10-6-4-7-11-21)27(35(31,32)33)26(19-24)22-12-8-5-9-13-22;1-30-18-31-23-14-12-19(13-15-23)22-16-24(20-8-4-2-5-9-20)26(32(27,28)29)25(17-22)21-10-6-3-7-11-21;1-18(2,3)16(26-4)29-20-8-13-5-14(9-20)7-19(6-13,11-20)12-28-17(22)27-10-15(21)30(23,24)25;1-17(2,3)28-16(22)29-19-7-12-4-13(8-19)6-18(5-12,10-19)11-27-15(21)26-9-14(20)30(23,24)25;1-14(17,18)13(19)21-9-15-4-11-3-12(5-15)7-16(6-11,8-15)22-10-20-2/h4-19H,1-3H3,(H,31,32,33);2-17H,18H2,1H3,(H,27,28,29);13-16H,5-12H2,1-4H3,(H,23,24,25);12-14H,4-11H2,1-3H3,(H,23,24,25);11-12H,3-10H2,1-2H3
InChIKeyHMSMVLXWWWBORR-UHFFFAOYSA-N
XLogP23.26
TPSA432.05 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.51
LogP ≤ 523.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid with MolForge

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Related Compounds

CID 91509880
CID 91509880
2-(1-Adamantyl)propan-2-yl 2,2-dimethylbutanoate;2-[[3-(4-butan-2-ylbenzoyl)oxy-1-adamantyl]methoxy]-1,1-difluoro-2-oxoethanesulfonate;2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 123694422
1-(3,3-Difluorobutyl)adamantane;2,2-difluorobutyl adamantane-1-carboxylate;1-(3-fluorobutyl)adamantane;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;(4-methoxyphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)
CID 157382617
1-Butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;bis(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(4-butan-2-ylphenyl) acetate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;5-methoxy-1,3-dimethyl-2-[2-(4-methylphenyl)propan-2-yl]benzene
CID 157879408
[3-[(2,2-Difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] 4-methylbenzoate;[3-(4-methoxyphenyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methylcyclohexyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methylphenyl)-1-adamantyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 158435903
4-(4-Butan-2-ylbenzoyl)-3,5-difluoro-2,6-bis(trifluoromethyl)benzenesulfonate;1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene;1-butan-2-yl-3-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2,2-dimethyl-1-propan-2-yloxypropoxy)benzene;3-butan-2-ylphenol;bis(4-butan-2-ylphenol);4-(4-butan-2-ylphenoxy)-2,6-difluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
CID 158663341
2-(Adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonic acid;3-[4-(1-adamantyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;3,5-bis(1-adamantylmethoxycarbonyl)benzenesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2,4,6-tritert-butylbenzenesulfonic acid
CID 159267038
4-[(6-Ethenylnaphthalen-2-yl)oxymethyl]benzenesulfonate;2-[2-(4-ethenylphenoxy)acetyl]benzenesulfonate;(4-ethenylphenoxy)carbonyloxy-difluoromethanesulfonate;4-[[3-[(4-ethenylphenoxy)methyl]adamantane-1-carbonyl]oxymethyl]benzenesulfonate;2-[2-(4-ethenylphenoxy)-2-oxoethyl]benzenesulfonate
CID 159565592
[3-[(2,2-Difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] 4-propan-2-ylcyclohexane-1-carboxylate;[3-(4-methoxyphenyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methylcyclohexyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methylphenyl)-1-adamantyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 159590297
[3-[(2,2-Difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl] 4-methylbenzoate;[3-(2,4-dimethylphenyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methoxyphenyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methylcyclohexyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(4-methylphenyl)-1-adamantyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[3-(2,4,6-trimethylphenyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 159889448
1-Benzyl-4-butoxybenzene;2-butoxycarbonylbenzenesulfonic acid;bis(1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene);bis(1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one);1-(2-methylbutan-2-yl)-4-[[4-(2-methylbutan-2-yl)phenyl]methyl]benzene;bis(2,3,4,5,6-pentafluorobenzenesulfonic acid);toluene;bis(trifluoromethanesulfonic acid);2,4,6-tri(propan-2-yl)benzenesulfonic acid
CID 159961899
1-[2-(1-Cyclohexylcyclohexyl)-1-ethoxyethoxy]-4-ethylbenzene;1-[1-(2-cyclohexylethoxy)-2-(1-methylcyclohexyl)ethoxy]-4-ethylbenzene;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(4-ethylphenol);2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;(4-ethylphenyl) adamantane-2-carboxylate;4-ethyl-2,3,5,6-tetrafluorobenzenesulfonate;[4-(2-hydroxyethyl)phenyl]-diphenylsulfanium
CID 160547685

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid?
The IUPAC name of 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid (CID 164995525) is 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid.
What is the SMILES notation for 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid?
The canonical SMILES for 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid is CC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)OCC(F)S(=O)(=O)O)(C3)C1)C2.CC(C)(C)OC(=O)c1ccc(-c2cc(-c3ccccc3)c(S(=O)(=O)O)c(-c3ccccc3)c2)cc1.COC(OC12CC3CC(CC(COC(=O)OCC(F)S(=O)(=O)O)(C3)C1)C2)C(C)(C)C.COCOC12CC3CC(CC(COC(=O)C(C)(F)F)(C3)C1)C2.COCOc1ccc(-c2cc(-c3ccccc3)c(S(=O)(=O)O)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid?
The InChIKey is HMSMVLXWWWBORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O5S.C26H22O5S.C20H33FO8S.C19H29FO9S.C16H24F2O4/c1-29(2,3)34-28(30)23-16-14-20(15-17-23)24-18-25(21-10-6-4-7-11-21)27(35(31,32)33)26(19-24)22-12-8-5-9-13-22;1-30-18-31-23-14-12-19(13-15-23)22-16-24(20-8-4-2-5-9-20)26(32(27,28)29)25(17-22)21-10-6-3-7-11-21;1-18(2,3)16(26-4)29-20-8-13-5-14(9-20)7-19(6-13,11-20)12-28-17(22)27-10-15(21)30(23,24)25;1-17(2,3)28-16(22)29-19-7-12-4-13(8-19)6-18(5-12,10-19)11-27-15(21)26-9-14(20)30(23,24)25;1-14(17,18)13(19)21-9-15-4-11-3-12(5-15)7-16(6-11,8-15)22-10-20-2/h4-19H,1-3H3,(H,31,32,33);2-17H,18H2,1H3,(H,27,28,29);13-16H,5-12H2,1-4H3,(H,23,24,25);12-14H,4-11H2,1-3H3,(H,23,24,25);11-12H,3-10H2,1-2H3.
What are the key properties of 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid?
1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid has a molecular weight of 2156.51 g/mol, XLogP of 23.26, 32 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[[3-(1-methoxy-2,2-dimethylpropoxy)-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;1-fluoro-2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxycarbonyloxy]ethanesulfonic acid;[3-(methoxymethoxy)-1-adamantyl]methyl 2,2-difluoropropanoate;4-[4-(methoxymethoxy)phenyl]-2,6-diphenylbenzenesulfonic acid;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2,6-diphenylbenzenesulfonic acid is sourced from PubChem (CID 164995525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).