laurdimoniumhydroxypropyl octyldiglucoside chloride (Q27263998)

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

14 October 2016

chemical formula

C₃₇H₇₄ClNO₁₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

laurdimoniumhydroxypropyl octyldiglucoside chloride (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCC[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)OCCCCCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

laurdimoniumhydroxypropyl octyldiglucoside chloride (English)

InChI=1S/C37H74NO12.ClH/c1-5-7-9-11-13-14-15-16-17-19-21-38(3,4)23-27(39)24-46-25-28-30(40)32(42)35(45)37(49-28)48-26-29-31(41)33(43)34(44)36(50-29)47-22-20-18-12-10-8-6-2;/h27-37,39-45H,5-26H2,1-4H3;1H/q+1;/p-1/t27?,28-,29-,30-,31-,32+,33+,34-,35-,36-,37+;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

laurdimoniumhydroxypropyl octyldiglucoside chloride (English)

XIAVOOILTKBNNB-QBZXLPFESA-M

14 October 2016

InChIKey

1 reference

laurdimoniumhydroxypropyl octyldiglucoside chloride (English)

14 October 2016

1 reference

matched by identifier from

Octyl 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

XIAVOOILTKBNNB-QBZXLPFESA-M

1 reference

2 references

laurdimoniumhydroxypropyl octyldiglucoside chloride (English)