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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14O35S8.8Na
Molecular Weight 1158.657
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUCROSOFATE SODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OC[C@H]1O[C@@](COS([O-])(=O)=O)(O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O

InChI

InChIKey=CPRSOZZDECJZKH-QRDGSJRXSA-F
InChI=1S/C12H22O35S8.8Na/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;/q;8*+1/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1

HIDE SMILES / InChI

Molecular Formula C12H14O35S8
Molecular Weight 974.739
Charge -8
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:46:47 UTC 2023
Edited
by admin
on Sat Dec 16 07:46:47 UTC 2023
Record UNII
S391KJ684Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUCROSOFATE SODIUM
Common Name English
.ALPHA.-D-GLUCOPYRANOSIDE, 1,3,4,6-TETRA-O-SULFO-.BETA.-D-FRUCTOFURANOSYL, 2,3,4,6-TETRAKIS(HYDROGEN SULFATE), SODIUM SALT (1:8)
Common Name English
SODIUM SUCROSE OCTASULFATE [INCI]
Common Name English
SODIUM SUCROSE OCTASULFATE
INCI  
INCI  
Official Name English
Code System Code Type Description
FDA UNII
S391KJ684Q
Created by admin on Sat Dec 16 07:46:47 UTC 2023 , Edited by admin on Sat Dec 16 07:46:47 UTC 2023
PRIMARY
CAS
74135-10-7
Created by admin on Sat Dec 16 07:46:47 UTC 2023 , Edited by admin on Sat Dec 16 07:46:47 UTC 2023
PRIMARY
PUBCHEM
9833472
Created by admin on Sat Dec 16 07:46:47 UTC 2023 , Edited by admin on Sat Dec 16 07:46:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID1049069
Created by admin on Sat Dec 16 07:46:47 UTC 2023 , Edited by admin on Sat Dec 16 07:46:47 UTC 2023
PRIMARY
CAS
127930-09-0
Created by admin on Sat Dec 16 07:46:47 UTC 2023 , Edited by admin on Sat Dec 16 07:46:47 UTC 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY