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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12O6
Molecular Weight 180.1559
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSACCHARINIC ACID

SMILES

OC[C@@H](O)C[C@](O)(CO)C(O)=O

InChI

InChIKey=SGOVJIDEXZEOTB-NJGYIYPDSA-N
InChI=1S/C6H12O6/c7-2-4(9)1-6(12,3-8)5(10)11/h4,7-9,12H,1-3H2,(H,10,11)/t4-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H12O6
Molecular Weight 180.1559
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:34:25 GMT 2023
Edited
by admin
on Fri Dec 15 15:34:25 GMT 2023
Record UNII
2Z6W76T3BN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSACCHARINIC ACID
Common Name English
.ALPHA.-ISOSACCHARINIC ACID
Systematic Name English
D-GLUCO-ISOSACCHARINIC ACID
Systematic Name English
D-erythro-Pentonic acid, 3-deoxy-2-C-(hydroxymethyl)-
Systematic Name English
3-DEOXY-2-C-(HYDROXYMETHYL)-D-ERYTHRO-PENTONIC ACID
Systematic Name English
.ALPHA.-D-GLUCOISOSACCHARINIC ACID
Systematic Name English
(2S,4S)-2,4,5-TRIHYDROXY-2-(HYDROXYMETHYL)PENTANOIC ACID
Systematic Name English
3-DEOXY-2-C-HYDROXYMETHYL-D-ERYTHRO-PENTONIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10934347
Created by admin on Fri Dec 15 15:34:25 GMT 2023 , Edited by admin on Fri Dec 15 15:34:25 GMT 2023
PRIMARY
CAS
1518-54-3
Created by admin on Fri Dec 15 15:34:25 GMT 2023 , Edited by admin on Fri Dec 15 15:34:25 GMT 2023
PRIMARY
PUBCHEM
23617516
Created by admin on Fri Dec 15 15:34:25 GMT 2023 , Edited by admin on Fri Dec 15 15:34:25 GMT 2023
PRIMARY
WIKIPEDIA
Isosaccharinic acid
Created by admin on Fri Dec 15 15:34:25 GMT 2023 , Edited by admin on Fri Dec 15 15:34:25 GMT 2023
PRIMARY
FDA UNII
2Z6W76T3BN
Created by admin on Fri Dec 15 15:34:25 GMT 2023 , Edited by admin on Fri Dec 15 15:34:25 GMT 2023
PRIMARY