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

Details

Stereochemistry ACHIRAL
Molecular Formula 10Al.5Mg.5O.2O4S.26HO.H2O
Molecular Weight 1123.669
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALMAGODRATE

SMILES

O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

InChI

InChIKey=TWITXPZQPJNMRV-UHFFFAOYSA-A
InChI=1S/10Al.5Mg.2H2O4S.27H2O.5O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);27*1H2;;;;;/q10*+3;5*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-2/p-30

HIDE SMILES / InChI

Molecular Formula Al
Molecular Weight 26.9815
Charge 3
Count
MOL RATIO 10 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
MOL RATIO 5 MOL RATIO (average)
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
MOL RATIO 32 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula O4S
Molecular Weight 96.063
Charge -2
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VHU3DO04O2
Record Status Validated (UNII)
Record Version