bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate

C273H538O51S16 — CID 160983601

IUPACbis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate
SMILESCCCCCC(CCC(CCCCCCCCC(=O)OC)SCCO)SCCO.CCCCCC(CCCC(CCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCC(CC(CCCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCC(CCC(CCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCCCCCC(CCCCCCCCCCO)SCC(=O)OC.CCCCCC[C@@H](O)CC(CCCCCCCCC(=O)OC)SCC(=O)OC.CCCCCC[C@@H](O)CC(CCCCCCCCC(=O)OC)SCCO.CCCCCC[C@@H](O)CCC(CCCCCCCC(=O)OC)SCC(=O)OC.CCCCCC[C@@H](O)CCC(CCCCCCCC(=O)OC)SCCO.COC(=O)CCCCCCCCCC(CCCCCCCCC(=O)OC)SCCO.COC(=O)CCCCCCCCCC(CCCCCCCCC(=O)OC)SCCO.COC(=O)CSC(CCCCCCCCCO)CCCCCCCCCCO
InChIInChI=1S/2C24H46O5S.C24H48O3S.4C23H46O4S2.C23H46O4S.2C22H42O5S.2C21H42O4S/c2*1-28-23(26)18-14-10-5-3-4-8-12-16-22(30-21-20-25)17-13-9-6-7-11-15-19-24(27)29-2;1-3-4-5-6-7-10-13-16-19-23(28-22-24(26)27-2)20-17-14-11-8-9-12-15-18-21-25;1-3-4-9-12-21(28-19-17-24)15-16-22(29-20-18-25)13-10-7-5-6-8-11-14-23(26)27-2;1-3-4-8-12-21(28-19-17-24)14-11-15-22(29-20-18-25)13-9-6-5-7-10-16-23(26)27-2;1-3-4-5-10-13-21(28-18-16-24)20-22(29-19-17-25)14-11-8-6-7-9-12-15-23(26)27-2;1-3-4-5-9-12-21(28-19-17-24)15-16-22(29-20-18-25)13-10-7-6-8-11-14-23(26)27-2;1-27-23(26)21-28-22(18-14-10-6-4-8-12-16-20-25)17-13-9-5-2-3-7-11-15-19-24;1-4-5-6-11-14-19(23)17-20(28-18-22(25)27-3)15-12-9-7-8-10-13-16-21(24)26-2;1-4-5-6-10-13-19(23)16-17-20(28-18-22(25)27-3)14-11-8-7-9-12-15-21(24)26-2;1-3-4-5-10-13-19(23)18-20(26-17-16-22)14-11-8-6-7-9-12-15-21(24)25-2;1-3-4-5-9-12-19(23)15-16-20(26-18-17-22)13-10-7-6-8-11-14-21(24)25-2/h2*22,25H,3-21H2,1-2H3;23,25H,3-22H2,1-2H3;4*21-22,24-25H,3-20H2,1-2H3;22,24-25H,2-21H2,1H3;2*19-20,23H,4-18H2,1-3H3;2*19-20,22-23H,3-18H2,1-2H3/t;;;;;;;;4*19-,20?/m........1111/s1
InChIKeySZVFEWQCAWFBRT-CVVFZYSRSA-N
MW5150.33 g/mol
LogP69.35
Rot. Bonds252

About bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate

bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate (PubChem CID 160983601) has the molecular formula C273H538O51S16 and a molecular weight of 5150.33 g/mol. Its IUPAC name is bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate.

Molecular Properties

Compound Namebis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate
PubChem CID160983601
Molecular FormulaC273H538O51S16
Molecular Weight5150.33 g/mol
Exact Mass5145.50
IUPAC Namebis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate
SMILESCCCCCC(CCC(CCCCCCCCC(=O)OC)SCCO)SCCO.CCCCCC(CCCC(CCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCC(CC(CCCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCC(CCC(CCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCCCCCC(CCCCCCCCCCO)SCC(=O)OC.CCCCCC[C@@H](O)CC(CCCCCCCCC(=O)OC)SCC(=O)OC.CCCCCC[C@@H](O)CC(CCCCCCCCC(=O)OC)SCCO.CCCCCC[C@@H](O)CCC(CCCCCCCC(=O)OC)SCC(=O)OC.CCCCCC[C@@H](O)CCC(CCCCCCCC(=O)OC)SCCO.COC(=O)CCCCCCCCCC(CCCCCCCCC(=O)OC)SCCO.COC(=O)CCCCCCCCCC(CCCCCCCCC(=O)OC)SCCO.COC(=O)CSC(CCCCCCCCCO)CCCCCCCCCCO
InChIInChI=1S/2C24H46O5S.C24H48O3S.4C23H46O4S2.C23H46O4S.2C22H42O5S.2C21H42O4S/c2*1-28-23(26)18-14-10-5-3-4-8-12-16-22(30-21-20-25)17-13-9-6-7-11-15-19-24(27)29-2;1-3-4-5-6-7-10-13-16-19-23(28-22-24(26)27-2)20-17-14-11-8-9-12-15-18-21-25;1-3-4-9-12-21(28-19-17-24)15-16-22(29-20-18-25)13-10-7-5-6-8-11-14-23(26)27-2;1-3-4-8-12-21(28-19-17-24)14-11-15-22(29-20-18-25)13-9-6-5-7-10-16-23(26)27-2;1-3-4-5-10-13-21(28-18-16-24)20-22(29-19-17-25)14-11-8-6-7-9-12-15-23(26)27-2;1-3-4-5-9-12-21(28-19-17-24)15-16-22(29-20-18-25)13-10-7-6-8-11-14-23(26)27-2;1-27-23(26)21-28-22(18-14-10-6-4-8-12-16-20-25)17-13-9-5-2-3-7-11-15-19-24;1-4-5-6-11-14-19(23)17-20(28-18-22(25)27-3)15-12-9-7-8-10-13-16-21(24)26-2;1-4-5-6-10-13-19(23)16-17-20(28-18-22(25)27-3)14-11-8-7-9-12-15-21(24)26-2;1-3-4-5-10-13-19(23)18-20(26-17-16-22)14-11-8-6-7-9-12-15-21(24)25-2;1-3-4-5-9-12-19(23)15-16-20(26-18-17-22)13-10-7-6-8-11-14-21(24)25-2/h2*22,25H,3-21H2,1-2H3;23,25H,3-22H2,1-2H3;4*21-22,24-25H,3-20H2,1-2H3;22,24-25H,2-21H2,1H3;2*19-20,23H,4-18H2,1-3H3;2*19-20,22-23H,3-18H2,1-2H3/t;;;;;;;;4*19-,20?/m........1111/s1
InChIKeySZVFEWQCAWFBRT-CVVFZYSRSA-N
XLogP69.35
TPSA805.17 Ų
H-Bond Donors19
H-Bond Acceptors67
Rotatable Bonds252
Heavy Atoms340
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005150.33
LogP ≤ 569.35
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate
CID 129103266
12-hydroxyoctadecanoic acid;methyl 10-(2-hydroxyethylsulfanyl)octadecanoate;methyl 12-hydroxyoctadecanoate;methyl (Z)-12-hydroxyoctadec-9-enoate
CID 158305706
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
12-hydroxy-8-(2-hydroxyethylsulfanyl)heptadecanoic acid
CID 21317536
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 9,16-dihydroxyhexadecanoate;methyl 10,16-dihydroxyhexadecanoate;methyl (Z)-hexadec-9-enoate;methyl (E)-hexadec-9-enoate;methyl 16-hydroxyhexadecanoate;methyl (Z)-16-hydroxyhexadec-9-enoate;methyl (E)-16-hydroxyhexadec-9-enoate;methyl 9,10,16-trihydroxyhexadecanoate
CID 160677125
methyl (12R)-9,10,12-trihydroxyoctadecanoate
CID 164820863

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate?
The IUPAC name of bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate (CID 160983601) is bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate.
What is the SMILES notation for bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate?
The canonical SMILES for bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate is CCCCCC(CCC(CCCCCCCCC(=O)OC)SCCO)SCCO.CCCCCC(CCCC(CCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCC(CC(CCCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCC(CCC(CCCCCCCC(=O)OC)SCCO)SCCO.CCCCCCCCCCC(CCCCCCCCCCO)SCC(=O)OC.CCCCCC[C@@H](O)CC(CCCCCCCCC(=O)OC)SCC(=O)OC.CCCCCC[C@@H](O)CC(CCCCCCCCC(=O)OC)SCCO.CCCCCC[C@@H](O)CCC(CCCCCCCC(=O)OC)SCC(=O)OC.CCCCCC[C@@H](O)CCC(CCCCCCCC(=O)OC)SCCO.COC(=O)CCCCCCCCCC(CCCCCCCCC(=O)OC)SCCO.COC(=O)CCCCCCCCCC(CCCCCCCCC(=O)OC)SCCO.COC(=O)CSC(CCCCCCCCCO)CCCCCCCCCCO.
What is the InChIKey of bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate?
The InChIKey is SZVFEWQCAWFBRT-CVVFZYSRSA-N. The full InChI is InChI=1S/2C24H46O5S.C24H48O3S.4C23H46O4S2.C23H46O4S.2C22H42O5S.2C21H42O4S/c2*1-28-23(26)18-14-10-5-3-4-8-12-16-22(30-21-20-25)17-13-9-6-7-11-15-19-24(27)29-2;1-3-4-5-6-7-10-13-16-19-23(28-22-24(26)27-2)20-17-14-11-8-9-12-15-18-21-25;1-3-4-9-12-21(28-19-17-24)15-16-22(29-20-18-25)13-10-7-5-6-8-11-14-23(26)27-2;1-3-4-8-12-21(28-19-17-24)14-11-15-22(29-20-18-25)13-9-6-5-7-10-16-23(26)27-2;1-3-4-5-10-13-21(28-18-16-24)20-22(29-19-17-25)14-11-8-6-7-9-12-15-23(26)27-2;1-3-4-5-9-12-21(28-19-17-24)15-16-22(29-20-18-25)13-10-7-6-8-11-14-23(26)27-2;1-27-23(26)21-28-22(18-14-10-6-4-8-12-16-20-25)17-13-9-5-2-3-7-11-15-19-24;1-4-5-6-11-14-19(23)17-20(28-18-22(25)27-3)15-12-9-7-8-10-13-16-21(24)26-2;1-4-5-6-10-13-19(23)16-17-20(28-18-22(25)27-3)14-11-8-7-9-12-15-21(24)26-2;1-3-4-5-10-13-19(23)18-20(26-17-16-22)14-11-8-6-7-9-12-15-21(24)25-2;1-3-4-5-9-12-19(23)15-16-20(26-18-17-22)13-10-7-6-8-11-14-21(24)25-2/h2*22,25H,3-21H2,1-2H3;23,25H,3-22H2,1-2H3;4*21-22,24-25H,3-20H2,1-2H3;22,24-25H,2-21H2,1H3;2*19-20,23H,4-18H2,1-3H3;2*19-20,22-23H,3-18H2,1-2H3/t;;;;;;;;4*19-,20?/m........1111/s1.
What are the key properties of bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate?
bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate has a molecular weight of 5150.33 g/mol, XLogP of 69.35, 252 rotatable bonds, 19 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl 10-(2-hydroxyethylsulfanyl)icosanedioate);methyl 9,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 9,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,12-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 10,13-bis(2-hydroxyethylsulfanyl)octadecanoate;methyl 2-(1,20-dihydroxyicosan-10-ylsulfanyl)acetate;methyl 2-(1-hydroxyhenicosan-11-ylsulfanyl)acetate;methyl (12R)-12-hydroxy-9-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-10-(2-hydroxyethylsulfanyl)octadecanoate;methyl (12R)-12-hydroxy-9-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate;methyl (12R)-12-hydroxy-10-(2-methoxy-2-oxoethyl)sulfanyloctadecanoate is sourced from PubChem (CID 160983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).