U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C27H51O15S.Na
Molecular Weight 670.74
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM LAURYLDIGLUCOSIDE HYDROXYPROPYLSULFONATE

SMILES

[Na+].CCCCCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](COCC(O)CS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=RMJHUKMBSJIZEU-UZWSNFEYSA-M
InChI=1S/C27H52O15S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-39-26-24(33)23(32)21(30)19(42-26)15-40-27-25(34)22(31)20(29)18(41-27)14-38-13-17(28)16-43(35,36)37;/h17-34H,2-16H2,1H3,(H,35,36,37);/q;+1/p-1/t17?,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H51O15S
Molecular Weight 647.75
Charge -1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:21:11 GMT 2023
Edited
by admin
on Sat Dec 16 18:21:11 GMT 2023
Record UNII
FC5AP8T8Z3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM LAURYLDIGLUCOSIDE HYDROXYPROPYLSULFONATE
Common Name English
Code System Code Type Description
PUBCHEM
165412081
Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023
PRIMARY
FDA UNII
FC5AP8T8Z3
Created by admin on Sat Dec 16 18:21:11 GMT 2023 , Edited by admin on Sat Dec 16 18:21:11 GMT 2023
PRIMARY