3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid

C221H436O94S14 — CID 158171773

IUPAC3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid
SMILESCC(CCCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC(C(O)C(O)CC(=O)OO)S(=O)(=O)O.CCCCCCCC(C1OC1CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC(O)C(O)C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC1OC1C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(C(CCCCCCCC(=O)OO)S(=O)(=O)O)S(=O)(=O)O.CCCCCCCCC(C(O)C(O)CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(C(O)CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(CCCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(O)C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(O)C(O)C(CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC1OC1C(CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCCC(CCCCCCCC(=O)OO)S(=O)(=O)O
InChIInChI=1S/C18H36O9S2.3C18H36O8S.3C18H34O7S.2C18H36O7S.2C18H36O6S.C12H24O8S.C11H22O6S/c1-2-3-4-5-7-10-13-16(28(21,22)23)17(29(24,25)26)14-11-8-6-9-12-15-18(19)27-20;1-2-3-4-6-9-12-15(19)18(21)16(27(23,24)25)13-10-7-5-8-11-14-17(20)26-22;1-2-3-4-5-6-10-13-16(27(23,24)25)18(21)15(19)12-9-7-8-11-14-17(20)26-22;1-2-3-4-5-6-9-12-15(19)18(21)16(27(23,24)25)13-10-7-8-11-14-17(20)26-22;1-2-3-4-6-10-13-16(26(21,22)23)18-15(24-18)12-9-7-5-8-11-14-17(19)25-20;1-2-3-4-6-9-12-15-18(24-15)16(26(21,22)23)13-10-7-5-8-11-14-17(19)25-20;1-2-3-4-5-6-9-12-15-18(24-15)16(26(21,22)23)13-10-7-8-11-14-17(19)25-20;1-2-3-4-5-8-11-14-17(26(22,23)24)16(19)13-10-7-6-9-12-15-18(20)25-21;1-2-3-4-5-7-10-13-16(19)17(26(22,23)24)14-11-8-6-9-12-15-18(20)25-21;1-2-3-4-5-8-11-14-17(25(21,22)23)15-12-9-6-7-10-13-16-18(19)24-20;1-2-3-4-5-6-8-11-14-17(25(21,22)23)15-12-9-7-10-13-16-18(19)24-20;1-2-3-4-5-6-7-10(21(17,18)19)12(15)9(13)8-11(14)20-16;1-10(18(14,15)16)8-6-4-2-3-5-7-9-11(12)17-13/h16-17,20H,2-15H2,1H3,(H,21,22,23)(H,24,25,26);3*15-16,18-19,21-22H,2-14H2,1H3,(H,23,24,25);3*15-16,18,20H,2-14H2,1H3,(H,21,22,23);2*16-17,19,21H,2-15H2,1H3,(H,22,23,24);2*17,20H,2-16H2,1H3,(H,21,22,23);9-10,12-13,15-16H,2-8H2,1H3,(H,17,18,19);10,13H,2-9H2,1H3,(H,14,15,16)
InChIKeyFXNQSFLQIHRVRS-UHFFFAOYSA-N
MW5046.76 g/mol
LogP47.16
Rot. Bonds206

About 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid

3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid (PubChem CID 158171773) has the molecular formula C221H436O94S14 and a molecular weight of 5046.76 g/mol. Its IUPAC name is 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid
PubChem CID158171773
Molecular FormulaC221H436O94S14
Molecular Weight5046.76 g/mol
Exact Mass5042.54
IUPAC Name3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid
SMILESCC(CCCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC(C(O)C(O)CC(=O)OO)S(=O)(=O)O.CCCCCCCC(C1OC1CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC(O)C(O)C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC1OC1C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(C(CCCCCCCC(=O)OO)S(=O)(=O)O)S(=O)(=O)O.CCCCCCCCC(C(O)C(O)CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(C(O)CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(CCCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(O)C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(O)C(O)C(CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC1OC1C(CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCCC(CCCCCCCC(=O)OO)S(=O)(=O)O
InChIInChI=1S/C18H36O9S2.3C18H36O8S.3C18H34O7S.2C18H36O7S.2C18H36O6S.C12H24O8S.C11H22O6S/c1-2-3-4-5-7-10-13-16(28(21,22)23)17(29(24,25)26)14-11-8-6-9-12-15-18(19)27-20;1-2-3-4-6-9-12-15(19)18(21)16(27(23,24)25)13-10-7-5-8-11-14-17(20)26-22;1-2-3-4-5-6-10-13-16(27(23,24)25)18(21)15(19)12-9-7-8-11-14-17(20)26-22;1-2-3-4-5-6-9-12-15(19)18(21)16(27(23,24)25)13-10-7-8-11-14-17(20)26-22;1-2-3-4-6-10-13-16(26(21,22)23)18-15(24-18)12-9-7-5-8-11-14-17(19)25-20;1-2-3-4-6-9-12-15-18(24-15)16(26(21,22)23)13-10-7-5-8-11-14-17(19)25-20;1-2-3-4-5-6-9-12-15-18(24-15)16(26(21,22)23)13-10-7-8-11-14-17(19)25-20;1-2-3-4-5-8-11-14-17(26(22,23)24)16(19)13-10-7-6-9-12-15-18(20)25-21;1-2-3-4-5-7-10-13-16(19)17(26(22,23)24)14-11-8-6-9-12-15-18(20)25-21;1-2-3-4-5-8-11-14-17(25(21,22)23)15-12-9-6-7-10-13-16-18(19)24-20;1-2-3-4-5-6-8-11-14-17(25(21,22)23)15-12-9-7-10-13-16-18(19)24-20;1-2-3-4-5-6-7-10(21(17,18)19)12(15)9(13)8-11(14)20-16;1-10(18(14,15)16)8-6-4-2-3-5-7-9-11(12)17-13/h16-17,20H,2-15H2,1H3,(H,21,22,23)(H,24,25,26);3*15-16,18-19,21-22H,2-14H2,1H3,(H,23,24,25);3*15-16,18,20H,2-14H2,1H3,(H,21,22,23);2*16-17,19,21H,2-15H2,1H3,(H,22,23,24);2*17,20H,2-16H2,1H3,(H,21,22,23);9-10,12-13,15-16H,2-8H2,1H3,(H,17,18,19);10,13H,2-9H2,1H3,(H,14,15,16)
InChIKeyFXNQSFLQIHRVRS-UHFFFAOYSA-N
XLogP47.16
TPSA1605.96 Ų
H-Bond Donors37
H-Bond Acceptors80
Rotatable Bonds206
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005046.76
LogP ≤ 547.16
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1080

Analyze 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid with MolForge

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Related Compounds

8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-11-sulfooctadecaneperoxoic acid;1-methoxy-1-oxooctadecane-9,10-disulfonic acid;18-methoxy-18-oxooctadecane-9-sulfonic acid;1-[3-(8-methoxy-8-oxooctyl)oxiran-2-yl]octane-1-sulfonic acid;11-methoxy-11-oxoundecane-2-sulfonic acid
CID 158844180
9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;9,10-dihydroxy-11-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid
CID 162181101
8-methoxy-1-(3-octyloxiran-2-yl)-8-oxooctane-1-sulfonic acid
CID 88568506
1-[3-(7-hydroperoxyheptyl)oxiran-2-yl]octane-1-sulfonic acid
CID 126707966
7-hydroperoxy-1-(3-octyloxiran-2-yl)heptane-1-sulfonic acid
CID 126707910
1-methoxy-1-oxooctadecane-9,10-disulfonic acid
CID 88568512
pentadecane-2-sulfonic acid
CID 22415353
dodecane-5-sulfonic acid
CID 87491021
dodecane-2-sulfonic acid
CID 18963549
tritetracontane-14-sulfonic acid
CID 151699628
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid?
The IUPAC name of 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid (CID 158171773) is 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid.
What is the SMILES notation for 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid?
The canonical SMILES for 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid is CC(CCCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC(C(O)C(O)CC(=O)OO)S(=O)(=O)O.CCCCCCCC(C1OC1CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC(O)C(O)C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCC1OC1C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(C(CCCCCCCC(=O)OO)S(=O)(=O)O)S(=O)(=O)O.CCCCCCCCC(C(O)C(O)CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(C(O)CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(CCCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(O)C(CCCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC(O)C(O)C(CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCC1OC1C(CCCCCCC(=O)OO)S(=O)(=O)O.CCCCCCCCCC(CCCCCCCC(=O)OO)S(=O)(=O)O.
What is the InChIKey of 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid?
The InChIKey is FXNQSFLQIHRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O9S2.3C18H36O8S.3C18H34O7S.2C18H36O7S.2C18H36O6S.C12H24O8S.C11H22O6S/c1-2-3-4-5-7-10-13-16(28(21,22)23)17(29(24,25)26)14-11-8-6-9-12-15-18(19)27-20;1-2-3-4-6-9-12-15(19)18(21)16(27(23,24)25)13-10-7-5-8-11-14-17(20)26-22;1-2-3-4-5-6-10-13-16(27(23,24)25)18(21)15(19)12-9-7-8-11-14-17(20)26-22;1-2-3-4-5-6-9-12-15(19)18(21)16(27(23,24)25)13-10-7-8-11-14-17(20)26-22;1-2-3-4-6-10-13-16(26(21,22)23)18-15(24-18)12-9-7-5-8-11-14-17(19)25-20;1-2-3-4-6-9-12-15-18(24-15)16(26(21,22)23)13-10-7-5-8-11-14-17(19)25-20;1-2-3-4-5-6-9-12-15-18(24-15)16(26(21,22)23)13-10-7-8-11-14-17(19)25-20;1-2-3-4-5-8-11-14-17(26(22,23)24)16(19)13-10-7-6-9-12-15-18(20)25-21;1-2-3-4-5-7-10-13-16(19)17(26(22,23)24)14-11-8-6-9-12-15-18(20)25-21;1-2-3-4-5-8-11-14-17(25(21,22)23)15-12-9-6-7-10-13-16-18(19)24-20;1-2-3-4-5-6-8-11-14-17(25(21,22)23)15-12-9-7-10-13-16-18(19)24-20;1-2-3-4-5-6-7-10(21(17,18)19)12(15)9(13)8-11(14)20-16;1-10(18(14,15)16)8-6-4-2-3-5-7-9-11(12)17-13/h16-17,20H,2-15H2,1H3,(H,21,22,23)(H,24,25,26);3*15-16,18-19,21-22H,2-14H2,1H3,(H,23,24,25);3*15-16,18,20H,2-14H2,1H3,(H,21,22,23);2*16-17,19,21H,2-15H2,1H3,(H,22,23,24);2*17,20H,2-16H2,1H3,(H,21,22,23);9-10,12-13,15-16H,2-8H2,1H3,(H,17,18,19);10,13H,2-9H2,1H3,(H,14,15,16).
What are the key properties of 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid?
3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid has a molecular weight of 5046.76 g/mol, XLogP of 47.16, 206 rotatable bonds, 37 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-5-sulfododecaneperoxoic acid;8,9-dihydroxy-10-sulfooctadecaneperoxoic acid;9,10-dihydroxy-8-sulfooctadecaneperoxoic acid;10,11-dihydroxy-9-sulfooctadecaneperoxoic acid;9,10-disulfooctadecaneperoxoic acid;9-(3-heptyloxiran-2-yl)-9-sulfononaneperoxoic acid;9-hydroxy-10-sulfooctadecaneperoxoic acid;10-hydroxy-9-sulfooctadecaneperoxoic acid;8-(3-octyloxiran-2-yl)-8-sulfooctaneperoxoic acid;9-sulfooctadecaneperoxoic acid;10-sulfooctadecaneperoxoic acid;8-[3-(1-sulfooctyl)oxiran-2-yl]octaneperoxoic acid;10-sulfoundecaneperoxoic acid is sourced from PubChem (CID 158171773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).