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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H10O7.Al.2HO.2H2O
Molecular Weight 291.1665
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge -1

SHOW SMILES / InChI
Structure of GLUCALDRATE ION

SMILES

C([C@]([H])([C@]([H])([C@@]([H])([C@]([H])(C(=O)[O-])[O-])O)O)O)O.[Al+3].O.O.[OH-].[OH-]

InChI

InChIKey=DUECEPQRCBDJHO-KANWYIMBSA-K
InChI=1S/C6H11O7.Al.4H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;/h2-5,7-10H,1H2,(H,12,13);;4*1H2/q-1;+3;;;;/p-3/t2-,3-,4+,5-;;;;;/m1...../s1

HIDE SMILES / InChI

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

Molecular Formula C6H10O7
Molecular Weight 194.1397
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
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 Jun 26 13:56:40 UTC 2021
Edited
by admin
on Sat Jun 26 13:56:40 UTC 2021
Record UNII
HQJ34Q0R4I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLUCALDRATE ION
Common Name English
ALUMINATE(1-), DIAQUA(GLUCONATO(2-)-O(SUP 1),O(SUP 2)DIHYDROXY-, (OC-6-44)
Common Name English
ALUMINATE(1-), DIAQUA(D-GLUCONATO(2-)-O1,O2)DIHYDROXY-
Common Name English
GLUCALDRATE
Common Name English
Code System Code Type Description
CAS
770646-28-1
Created by admin on Sat Jun 26 13:56:40 UTC 2021 , Edited by admin on Sat Jun 26 13:56:40 UTC 2021
PRIMARY
FDA UNII
HQJ34Q0R4I
Created by admin on Sat Jun 26 13:56:40 UTC 2021 , Edited by admin on Sat Jun 26 13:56:40 UTC 2021
PRIMARY
PUBCHEM
71587799
Created by admin on Sat Jun 26 13:56:40 UTC 2021 , Edited by admin on Sat Jun 26 13:56:40 UTC 2021
PRIMARY
EPA CompTox
770646-28-1
Created by admin on Sat Jun 26 13:56:40 UTC 2021 , Edited by admin on Sat Jun 26 13:56:40 UTC 2021
PRIMARY
Related Record Type Details
ACTIVE MOIETY