myristyldimoniumhydroxypropyl oleyldiglucoside chloride (Q27276197)

(9Z)-9-Octadecen-1-yl 6-O-(6-O-{3-[dimethyl(tetradecyl)ammonio]-2-hydroxypropyl}-alpha-D-glucopyranosyl)-beta-D-glucopyranoside chloride (English)

14 October 2016

chemical formula

C₄₉H₉₆ClNO₁₂

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)OCCCCCCCCC=CCCCCCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

myristyldimoniumhydroxypropyl oleyldiglucoside 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/C=C\CCCCCCCC)O)O)O)O)O)O)O.[Cl-]

1 reference

myristyldimoniumhydroxypropyl oleyldiglucoside chloride (English)

InChI=1S/C49H96NO12.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-59-48-46(56)45(55)43(53)41(62-48)38-60-49-47(57)44(54)42(52)40(61-49)37-58-36-39(51)35-50(3,4)33-31-29-27-25-23-18-16-14-12-10-8-6-2;/h19-20,39-49,51-57H,5-18,21-38H2,1-4H3;1H/q+1;/p-1/b20-19-;/t39?,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

myristyldimoniumhydroxypropyl oleyldiglucoside chloride (English)

JOLFYTDFSADRMB-XZFNYSSPSA-M

14 October 2016

InChIKey

1 reference

myristyldimoniumhydroxypropyl oleyldiglucoside chloride (English)

14 October 2016

1 reference

matched by identifier from

(9Z)-9-Octadecen-1-yl 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

JOLFYTDFSADRMB-XZFNYSSPSA-M

1 reference

2 references

myristyldimoniumhydroxypropyl oleyldiglucoside chloride (English)