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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H32O16
Molecular Weight 504.4371
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMALTOTRIOSE

SMILES

OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=FZWBNHMXJMCXLU-BLAUPYHCSA-N
InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H32O16
Molecular Weight 504.4371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:55:44 GMT 2025
Edited
by admin
on Mon Mar 31 19:55:44 GMT 2025
Record UNII
L3L3XYP7MP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-.ALPHA.-ISOMALTOSYLGLUCOSE
Preferred Name English
ISOMALTOTRIOSE
Common Name English
(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-((((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)METHYL)OXAN-2-YL)OXY)HEXANAL
Systematic Name English
D-GLUCOSE, O-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701317190
Created by admin on Mon Mar 31 19:55:44 GMT 2025 , Edited by admin on Mon Mar 31 19:55:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
222-149-2
Created by admin on Mon Mar 31 19:55:44 GMT 2025 , Edited by admin on Mon Mar 31 19:55:44 GMT 2025
PRIMARY
CAS
3371-50-4
Created by admin on Mon Mar 31 19:55:44 GMT 2025 , Edited by admin on Mon Mar 31 19:55:44 GMT 2025
PRIMARY
CHEBI
27649
Created by admin on Mon Mar 31 19:55:44 GMT 2025 , Edited by admin on Mon Mar 31 19:55:44 GMT 2025
PRIMARY
PUBCHEM
5460037
Created by admin on Mon Mar 31 19:55:44 GMT 2025 , Edited by admin on Mon Mar 31 19:55:44 GMT 2025
PRIMARY
FDA UNII
L3L3XYP7MP
Created by admin on Mon Mar 31 19:55:44 GMT 2025 , Edited by admin on Mon Mar 31 19:55:44 GMT 2025
PRIMARY