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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21NO14S
Molecular Weight 459.38
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHONDROITIN DISACCHARIDE .DELTA.DI-6S

SMILES

CC(=O)N[C@@H](C=O)[C@@H](O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O)[C@@H](O)[C@H](O)COS(O)(=O)=O

InChI

InChIKey=AWPDIFXYBYYGRI-WIHAIFTMSA-N
InChI=1S/C14H21NO14S/c1-5(17)15-6(3-16)12(10(20)8(19)4-27-30(24,25)26)29-14-11(21)7(18)2-9(28-14)13(22)23/h2-3,6-8,10-12,14,18-21H,4H2,1H3,(H,15,17)(H,22,23)(H,24,25,26)/t6-,7-,8+,10-,11+,12+,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H21NO14S
Molecular Weight 459.38
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:23:35 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:35 GMT 2025
Record UNII
ILU6A2WN75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHONDROITIN DISACCHARIDE .DELTA.DI-6S
Common Name English
CHONDROITIN DISACCHARIDE .DELTA.DI-6S (CONSTITUENT OF CHONDROITIN SULFATE SODIUM) [DSC]
Preferred Name English
D-GALACTOSE, 2-(ACETYLAMINO)-2-DEOXY-3-O-(4-DEOXY-.ALPHA.-L-THREO-HEX-4-ENOPYRANURONOSYL)-, 6-(HYDROGEN SULFATE)
Systematic Name English
2-ACETAMIDO-2-DEOXY-3-O-(.BETA.-D-GLUCO-4-ENEPYRANOSYLURONIC ACID)-6-O-SULFO-D-GALACTOSE
Systematic Name English
Code System Code Type Description
FDA UNII
ILU6A2WN75
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
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PUBCHEM
91864444
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
CAS
51449-08-2
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY