AC1Q1UOP

trisodium;[18-[1,3-bis(10-sulfonatooxyoctadecanoyloxy)propan-2-yloxy]-18-oxooctadecan-9-yl] sulfate

Also Known As: Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt|10-Hydroxyoctadecanoic acid, 1,2,3-propanetriyl ester, trisulfate, trisodium salt|Octadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)|trisodium propane-1,2,3-triyltris(oxy-18-oxooctadecane-18,9-diyl) trisulfate|Octadecanoic acid, 10-hydroxy-, triester with glycerol, tris(hydrogen sulfate), trisodium salt|Tris(10-hydroxyoctadecanoic) acid, triester with trisodium propane-1,2,3-triyl tris(sulphate)|10-Hydroxyoctadecanoic acid,1,2,3-propanetriyl ester,trisulfate,trisodium salt|Tris[10-[[(sodiooxy)sulfonyl]oxy]octadecanoic acid]1,2,3-propanetriyl ester|Octadecanoic acid, 10-(sulfooxy)-, 1,1a(2),1a(2)a(2)-(1,2,3-propanetriyl) ester, sodium salt (1:3)|Octadecanoic acid,10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3)|trisodium [18-[1,3-bis(10-sulfonatooxyoctadecanoyloxy)propan-2-yloxy]-18-oxooctadecan-9-yl] sulfate|trisodium,[18-[1,3-bis(10-sulfonatooxyoctadecanoyloxy)propan-2-yloxy]-18-oxooctadecan-9-yl] sulfate

Molecular Formula	C57H107Na3O18S3
Molecular Weight	1244.6312 g/mol
LogP	5.147
Topological Polar Surface Area	303.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	18
Rotatable Bonds	59
Exact Mass	1244.6312
Monoisotopic Mass	1244.6312
Heavy Atoms	81
Complexity	1640.0

Chemical Identifiers

CAS Number	17005-27-5
SMILES	CCCCCCCCC(CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	VWBPLZUSCZPZRG-UHFFFAOYSA-K