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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17NO8
Molecular Weight 315.276
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(?-D-Glucopyranosylamino)-2-hydroxybenzoic acid

SMILES

OC[C@H]1O[C@@H](NC2=CC=C(O)C(=C2)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=SJRWBGQWNUAGPK-RMPHRYRLSA-N
InChI=1S/C13H17NO8/c15-4-8-9(17)10(18)11(19)12(22-8)14-5-1-2-7(16)6(3-5)13(20)21/h1-3,8-12,14-19H,4H2,(H,20,21)/t8-,9-,10+,11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H17NO8
Molecular Weight 315.276
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:51:06 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:06 GMT 2025
Record UNII
U9SD2FJ9BS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzoic acid, 5-(?-D-glucopyranosylamino)-2-hydroxy-
Preferred Name English
5-(?-D-Glucopyranosylamino)-2-hydroxybenzoic acid
Systematic Name English
Code System Code Type Description
CAS
123135-21-7
Created by admin on Wed Apr 02 17:51:06 GMT 2025 , Edited by admin on Wed Apr 02 17:51:06 GMT 2025
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EPA CompTox
DTXSID90924382
Created by admin on Wed Apr 02 17:51:06 GMT 2025 , Edited by admin on Wed Apr 02 17:51:06 GMT 2025
PRIMARY
FDA UNII
U9SD2FJ9BS
Created by admin on Wed Apr 02 17:51:06 GMT 2025 , Edited by admin on Wed Apr 02 17:51:06 GMT 2025
PRIMARY
PUBCHEM
129904
Created by admin on Wed Apr 02 17:51:06 GMT 2025 , Edited by admin on Wed Apr 02 17:51:06 GMT 2025
PRIMARY