butyldimoniumhydroxypropyl butyldiglucoside chloride (Q27265652)

Butyl 6-O-(6-O-{3-[butyl(dimethyl)ammonio]-2-hydroxypropyl}-alpha-D-glucopyranosyl)-beta-D-glucopyranoside chloride (English)

14 October 2016

chemical formula

C₂₅H₅₀ClNO₁₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCC[N+](C)(C)CC(COCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

butyldimoniumhydroxypropyl butyldiglucoside chloride (English)

14 October 2016

isomeric SMILES

CCCC[N+](C)(C)CC(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

butyldimoniumhydroxypropyl butyldiglucoside chloride (English)

InChI=1S/C25H50NO12.ClH/c1-5-7-9-26(3,4)11-15(27)12-34-13-16-18(28)20(30)23(33)25(37-16)36-14-17-19(29)21(31)22(32)24(38-17)35-10-8-6-2;/h15-25,27-33H,5-14H2,1-4H3;1H/q+1;/p-1/t15?,16-,17-,18-,19-,20+,21+,22-,23-,24-,25+;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

butyldimoniumhydroxypropyl butyldiglucoside chloride (English)

PFFGNZQYPLBAKM-GHESWPMRSA-M

14 October 2016

InChIKey

1 reference

butyldimoniumhydroxypropyl butyldiglucoside chloride (English)

14 October 2016

1 reference

Butyl 6-O-(6-O-{3-[butyl(dimethyl)ammonio]-2-hydroxypropyl}-alpha-D-glucopyranosyl)-beta-D-glucopyranoside chloride (English)

14 October 2016

1 reference

26 December 2021

1 reference

2 references

butyldimoniumhydroxypropyl butyldiglucoside chloride (English)