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-4S

SMILES

[H][C@@](O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O)([C@@H](NC(C)=O)C=O)[C@@H](OS(O)(=O)=O)[C@H](O)CO

InChI

InChIKey=KRLLUAKFPATIPF-PGVXRSKGSA-N
InChI=1S/C14H21NO14S/c1-5(18)15-6(3-16)11(12(8(20)4-17)29-30(24,25)26)28-14-10(21)7(19)2-9(27-14)13(22)23/h2-3,6-8,10-12,14,17,19-21H,4H2,1H3,(H,15,18)(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 Sat Dec 16 11:23:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:23:22 GMT 2023
Record UNII
5N9SPD8HFZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHONDROITIN DISACCHARIDE .DELTA.DI-4S
Common Name English
CHONDROITIN DISACCHARIDE .DELTA.DI-4S (CONSTITUENT OF CHONDROITIN SULFATE SODIUM) [DSC]
Common Name English
D-CHONDROSAMINE, N-ACETYL-3-O-.BETA.-D-.DELTA.4,5-GLUCOSEENPYRANURANURONOSYL-, 4-DISULFATE
Systematic Name English
D-GALACTOSE, 2-(ACETYLAMINO)-2-DEOXY-3-O-(4-DEOXY-.ALPHA.-L-THREO-HEX-4-ENOPYRANURONOSYL)-, 4-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
71308679
Created by admin on Sat Dec 16 11:23:22 GMT 2023 , Edited by admin on Sat Dec 16 11:23:22 GMT 2023
PRIMARY
FDA UNII
5N9SPD8HFZ
Created by admin on Sat Dec 16 11:23:22 GMT 2023 , Edited by admin on Sat Dec 16 11:23:22 GMT 2023
PRIMARY
CAS
51449-07-1
Created by admin on Sat Dec 16 11:23:22 GMT 2023 , Edited by admin on Sat Dec 16 11:23:22 GMT 2023
PRIMARY