trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate

C12H24Mg3O15 — CID 173246705

IUPACtrimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.3Mg.H2O.6H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2;;;;;;/q;;3*+2;;6*-1
InChIKeyHQUSGLKTUXOMAL-UHFFFAOYSA-N
MW481.22 g/mol
LogP-3.79
Rot. Bonds10

About trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate

trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate (PubChem CID 173246705) has the molecular formula C12H24Mg3O15 and a molecular weight of 481.22 g/mol. Its IUPAC name is trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate.

Molecular Properties

Compound Nametrimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
PubChem CID173246705
Molecular FormulaC12H24Mg3O15
Molecular Weight481.22 g/mol
Exact Mass480.07
IUPAC Nametrimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.3Mg.H2O.6H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2;;;;;;/q;;3*+2;;6*-1
InChIKeyHQUSGLKTUXOMAL-UHFFFAOYSA-N
XLogP-3.79
TPSA295.76 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.22
LogP ≤ 5-3.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 175537707
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512

Frequently Asked Questions

What is the IUPAC name of trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate?
The IUPAC name of trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate (CID 173246705) is trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate.
What is the SMILES notation for trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate?
The canonical SMILES for trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate is O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate?
The InChIKey is HQUSGLKTUXOMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O7.3Mg.H2O.6H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2;;;;;;/q;;3*+2;;6*-1.
What are the key properties of trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate?
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate has a molecular weight of 481.22 g/mol, XLogP of -3.79, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate is sourced from PubChem (CID 173246705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).