laurdimoniumhydroxypropyl stearyldiglucoside chloride (Q27268577)

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

14 October 2016

chemical formula

C₄₇H₉₄ClNO₁₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)COCC(C[N+](C)(C)CCCCCCCCCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

laurdimoniumhydroxypropyl stearyldiglucoside chloride (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC(C[N+](C)(C)CCCCCCCCCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

laurdimoniumhydroxypropyl stearyldiglucoside chloride (English)

InChI=1S/C47H94NO12.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-57-46-44(54)43(53)41(51)39(60-46)36-58-47-45(55)42(52)40(50)38(59-47)35-56-34-37(49)33-48(3,4)31-29-27-25-23-16-14-12-10-8-6-2;/h37-47,49-55H,5-36H2,1-4H3;1H/q+1;/p-1/t37?,38-,39-,40-,41-,42+,43+,44-,45-,46-,47+;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

laurdimoniumhydroxypropyl stearyldiglucoside chloride (English)

YLSSKQXLZKYUQA-DEWQXBCGSA-M

14 October 2016

InChIKey

1 reference

laurdimoniumhydroxypropyl stearyldiglucoside chloride (English)

14 October 2016

1 reference

matched by identifier from

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

14 October 2016

2 references

26 December 2021

InChIKey

YLSSKQXLZKYUQA-DEWQXBCGSA-M

1 reference

2 references

laurdimoniumhydroxypropyl stearyldiglucoside chloride (English)