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Details

Stereochemistry MIXED
Molecular Formula 2C4H5NO4.2K.2H.H2O
Molecular Weight 360.4014
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POTASSIUM HYDROGEN-DL-ASPARTATE HEMIHYDRATE

SMILES

[H+].[H+].O.[K+].[K+].NC(CC([O-])=O)C([O-])=O.NC(CC([O-])=O)C([O-])=O

InChI

InChIKey=YKZPPPNXRZHVGX-UHFFFAOYSA-L
InChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H5NO4
Molecular Weight 131.0868
Charge -2
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:13:13 GMT 2023
Edited
by admin
on Sat Dec 16 17:13:13 GMT 2023
Record UNII
WL7OKI26RD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POTASSIUM HYDROGEN-DL-ASPARTATE HEMIHYDRATE
Common Name English
DL-ASPARTIC ACID, MONOPOTASSIUM SALT, HYDRATE (2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
WL7OKI26RD
Created by admin on Sat Dec 16 17:13:13 GMT 2023 , Edited by admin on Sat Dec 16 17:13:13 GMT 2023
PRIMARY
CAS
394208-50-5
Created by admin on Sat Dec 16 17:13:13 GMT 2023 , Edited by admin on Sat Dec 16 17:13:13 GMT 2023
PRIMARY
PUBCHEM
71311553
Created by admin on Sat Dec 16 17:13:13 GMT 2023 , Edited by admin on Sat Dec 16 17:13:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID10746604
Created by admin on Sat Dec 16 17:13:13 GMT 2023 , Edited by admin on Sat Dec 16 17:13:13 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE