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Details

Stereochemistry EPIMERIC
Molecular Formula C41H82NO12.Cl
Molecular Weight 816.542
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAURDIMONIUMHYDROXYPROPYL LAURYLDIGLUCOSIDE CHLORIDE

SMILES

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

InChI

InChIKey=HHLNWYKJSCYNKR-UQOQROJKSA-M
InChI=1S/C41H82NO12.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-42(3,4)27-31(43)28-50-29-32-34(44)36(46)39(49)41(53-32)52-30-33-35(45)37(47)38(48)40(54-33)51-26-24-22-20-18-16-14-12-10-8-6-2;/h31-41,43-49H,5-30H2,1-4H3;1H/q+1;/p-1/t31?,32-,33-,34-,35-,36+,37+,38-,39-,40-,41+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C41H81NO12
Molecular Weight 780.0813
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 10 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
BY558Z03UN
Record Status Validated (UNII)
Record Version