5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol

C222H404N20O50S12 — CID 158223254

IUPAC5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol
SMILESCC(C)(CCC(O)CCC(O)CCC(C)(C)C(=O)O)C(=O)O.CC(C)(CCC(O)CCC(O)CCC(C)(C)S(=O)(=O)O)SOOO.CC(C)(CCC(O)CCCC(O)CCC(C)(C)Cc1cocc(O)c1=O)Cc1cocc(O)c1=O.CC(C)(CO)CCC(O)CCC(O)CCC(C)(C)CO.CC(C)(O)CCC(O)CCC(O)CCC(C)(C)O.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)CN(CC)C2=O)C1=O.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)CN(CC)C2=S)C1=S.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=S)CN(CC)C2=S)C1=O.CCN1CC(=S)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)N(CC)CC2=S)C1=O.CCN1CC(=S)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=S)CN(CC)C2=S)C1=S
InChIInChI=1S/C27H48N4O6.3C27H48N4O4S2.C27H48N4O2S4.C27H40O8.C16H30O6.C16H34O4.C14H30O8S2.C14H30O4/c1-7-28-16-22(34)30(24(28)36)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(35)17-29(8-2)25(31)37;1-7-28-16-22(36)30(24(28)34)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(37)17-29(8-2)25(31)35;1-7-28-16-22(34)30(24(28)35)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(36)17-29(8-2)25(31)37;2*1-7-28-16-22(34)30(24(28)36)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(35)17-29(8-2)25(31)37;1-26(2,12-18-14-34-16-22(30)24(18)32)10-8-20(28)6-5-7-21(29)9-11-27(3,4)13-19-15-35-17-23(31)25(19)33;1-15(2,13(19)20)9-7-11(17)5-6-12(18)8-10-16(3,4)14(21)22;1-15(2,11-17)9-7-13(19)5-6-14(20)8-10-16(3,4)12-18;1-13(2,23-22-21-17)9-7-11(15)5-6-12(16)8-10-14(3,4)24(18,19)20;1-13(2,17)9-7-11(15)5-6-12(16)8-10-14(3,4)18/h5*20-21,32-33H,7-19H2,1-6H3;14-17,20-21,28-31H,5-13H2,1-4H3;11-12,17-18H,5-10H2,1-4H3,(H,19,20)(H,21,22);13-14,17-20H,5-12H2,1-4H3;11-12,15-17H,5-10H2,1-4H3,(H,18,19,20);11-12,15-18H,5-10H2,1-4H3
InChIKeyGDMPUOCGHNOPTK-UHFFFAOYSA-N
MW4538.57 g/mol
LogP32.93
Rot. Bonds138

About 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol

5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol (PubChem CID 158223254) has the molecular formula C222H404N20O50S12 and a molecular weight of 4538.57 g/mol. Its IUPAC name is 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol.

Molecular Properties

Compound Name5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol
PubChem CID158223254
Molecular FormulaC222H404N20O50S12
Molecular Weight4538.57 g/mol
Exact Mass4534.63
IUPAC Name5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol
SMILESCC(C)(CCC(O)CCC(O)CCC(C)(C)C(=O)O)C(=O)O.CC(C)(CCC(O)CCC(O)CCC(C)(C)S(=O)(=O)O)SOOO.CC(C)(CCC(O)CCCC(O)CCC(C)(C)Cc1cocc(O)c1=O)Cc1cocc(O)c1=O.CC(C)(CO)CCC(O)CCC(O)CCC(C)(C)CO.CC(C)(O)CCC(O)CCC(O)CCC(C)(C)O.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)CN(CC)C2=O)C1=O.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)CN(CC)C2=S)C1=S.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=S)CN(CC)C2=S)C1=O.CCN1CC(=S)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)N(CC)CC2=S)C1=O.CCN1CC(=S)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=S)CN(CC)C2=S)C1=S
InChIInChI=1S/C27H48N4O6.3C27H48N4O4S2.C27H48N4O2S4.C27H40O8.C16H30O6.C16H34O4.C14H30O8S2.C14H30O4/c1-7-28-16-22(34)30(24(28)36)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(35)17-29(8-2)25(31)37;1-7-28-16-22(36)30(24(28)34)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(37)17-29(8-2)25(31)35;1-7-28-16-22(34)30(24(28)35)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(36)17-29(8-2)25(31)37;2*1-7-28-16-22(34)30(24(28)36)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(35)17-29(8-2)25(31)37;1-26(2,12-18-14-34-16-22(30)24(18)32)10-8-20(28)6-5-7-21(29)9-11-27(3,4)13-19-15-35-17-23(31)25(19)33;1-15(2,13(19)20)9-7-11(17)5-6-12(18)8-10-16(3,4)14(21)22;1-15(2,11-17)9-7-13(19)5-6-14(20)8-10-16(3,4)12-18;1-13(2,23-22-21-17)9-7-11(15)5-6-12(16)8-10-14(3,4)24(18,19)20;1-13(2,17)9-7-11(15)5-6-12(16)8-10-14(3,4)18/h5*20-21,32-33H,7-19H2,1-6H3;14-17,20-21,28-31H,5-13H2,1-4H3;11-12,17-18H,5-10H2,1-4H3,(H,19,20)(H,21,22);13-14,17-20H,5-12H2,1-4H3;11-12,15-17H,5-10H2,1-4H3,(H,18,19,20);11-12,15-18H,5-10H2,1-4H3
InChIKeyGDMPUOCGHNOPTK-UHFFFAOYSA-N
XLogP32.93
TPSA989.56 Ų
H-Bond Donors30
H-Bond Acceptors58
Rotatable Bonds138
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004538.57
LogP ≤ 532.93
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1058

Analyze 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol?
The IUPAC name of 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol (CID 158223254) is 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol.
What is the SMILES notation for 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol?
The canonical SMILES for 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol is CC(C)(CCC(O)CCC(O)CCC(C)(C)C(=O)O)C(=O)O.CC(C)(CCC(O)CCC(O)CCC(C)(C)S(=O)(=O)O)SOOO.CC(C)(CCC(O)CCCC(O)CCC(C)(C)Cc1cocc(O)c1=O)Cc1cocc(O)c1=O.CC(C)(CO)CCC(O)CCC(O)CCC(C)(C)CO.CC(C)(O)CCC(O)CCC(O)CCC(C)(C)O.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)CN(CC)C2=O)C1=O.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)CN(CC)C2=S)C1=S.CCN1CC(=O)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=S)CN(CC)C2=S)C1=O.CCN1CC(=S)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=O)N(CC)CC2=S)C1=O.CCN1CC(=S)N(CC(C)(C)CCC(O)CCCC(O)CCC(C)(C)CN2C(=S)CN(CC)C2=S)C1=S.
What is the InChIKey of 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol?
The InChIKey is GDMPUOCGHNOPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N4O6.3C27H48N4O4S2.C27H48N4O2S4.C27H40O8.C16H30O6.C16H34O4.C14H30O8S2.C14H30O4/c1-7-28-16-22(34)30(24(28)36)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(35)17-29(8-2)25(31)37;1-7-28-16-22(36)30(24(28)34)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(37)17-29(8-2)25(31)35;1-7-28-16-22(34)30(24(28)35)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(36)17-29(8-2)25(31)37;2*1-7-28-16-22(34)30(24(28)36)18-26(3,4)14-12-20(32)10-9-11-21(33)13-15-27(5,6)19-31-23(35)17-29(8-2)25(31)37;1-26(2,12-18-14-34-16-22(30)24(18)32)10-8-20(28)6-5-7-21(29)9-11-27(3,4)13-19-15-35-17-23(31)25(19)33;1-15(2,13(19)20)9-7-11(17)5-6-12(18)8-10-16(3,4)14(21)22;1-15(2,11-17)9-7-13(19)5-6-14(20)8-10-16(3,4)12-18;1-13(2,23-22-21-17)9-7-11(15)5-6-12(16)8-10-14(3,4)24(18,19)20;1-13(2,17)9-7-11(15)5-6-12(16)8-10-14(3,4)18/h5*20-21,32-33H,7-19H2,1-6H3;14-17,20-21,28-31H,5-13H2,1-4H3;11-12,17-18H,5-10H2,1-4H3,(H,19,20)(H,21,22);13-14,17-20H,5-12H2,1-4H3;11-12,15-17H,5-10H2,1-4H3,(H,18,19,20);11-12,15-18H,5-10H2,1-4H3.
What are the key properties of 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol?
5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol has a molecular weight of 4538.57 g/mol, XLogP of 32.93, 138 rotatable bonds, 30 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-2,11-dimethyl-11-(trioxidanylsulfanyl)dodecane-2-sulfonic acid;3-[5,9-dihydroxy-13-(5-hydroxy-4-oxopyran-3-yl)-2,2,12,12-tetramethyltridecyl]-5-hydroxypyran-4-one;5,8-dihydroxy-2,2,11,11-tetramethyldodecanedioic acid;2,11-dimethyldodecane-2,5,8,11-tetrol;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dithione;1-ethyl-3-[13-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]imidazolidine-2,4-dione;1-ethyl-3-[13-(3-ethyl-2-oxo-5-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-4-sulfanylideneimidazolidin-2-one;1-ethyl-3-[13-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-5,9-dihydroxy-2,2,12,12-tetramethyltridecyl]-2-sulfanylideneimidazolidin-4-one;2,2,11,11-tetramethyldodecane-1,5,8,12-tetrol is sourced from PubChem (CID 158223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).