myristyldimoniumhydroxypropyl octyldiglucoside chloride (Q27289181)

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

14 October 2016

chemical formula

C₃₉H₇₈ClNO₁₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCC[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

myristyldimoniumhydroxypropyl octyldiglucoside chloride (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCC[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

myristyldimoniumhydroxypropyl octyldiglucoside chloride (English)

InChI=1S/C39H78NO12.ClH/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-40(3,4)25-29(41)26-48-27-30-32(42)34(44)37(47)39(51-30)50-28-31-33(43)35(45)36(46)38(52-31)49-24-22-20-12-10-8-6-2;/h29-39,41-47H,5-28H2,1-4H3;1H/q+1;/p-1/t29?,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

myristyldimoniumhydroxypropyl octyldiglucoside chloride (English)

JRMVUXYJTKFTJY-WLUUJBEGSA-M

14 October 2016

InChIKey

1 reference

myristyldimoniumhydroxypropyl octyldiglucoside chloride (English)

14 October 2016

1 reference

matched by identifier from

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

14 October 2016

2 references

26 December 2021

InChIKey

JRMVUXYJTKFTJY-WLUUJBEGSA-M

1 reference

2 references

myristyldimoniumhydroxypropyl octyldiglucoside chloride (English)