trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate

C12H28Mg3O23 — CID 53249332

IUPACtrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.3Mg.9H2O/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);;;;9*1H2/q;;3*+2;;;;;;;;;/p-6
InChIKeyIYQJAGXFXWIEJE-UHFFFAOYSA-H
MW613.25 g/mol
LogP-19.07
Rot. Bonds10

About trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate

trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate (PubChem CID 53249332) has the molecular formula C12H28Mg3O23 and a molecular weight of 613.25 g/mol. Its IUPAC name is trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate.

Molecular Properties

Compound Nametrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
PubChem CID53249332
Molecular FormulaC12H28Mg3O23
Molecular Weight613.25 g/mol
Exact Mass612.06
IUPAC Nametrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H8O7.3Mg.9H2O/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);;;;9*1H2/q;;3*+2;;;;;;;;;/p-6
InChIKeyIYQJAGXFXWIEJE-UHFFFAOYSA-H
XLogP-19.07
TPSA564.74 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.25
LogP ≤ 5-19.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 175376328
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
CID 160518842
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 23154181
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596

Frequently Asked Questions

What is the IUPAC name of trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate?
The IUPAC name of trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate (CID 53249332) is trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate.
What is the SMILES notation for trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate?
The canonical SMILES for trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate is O.O.O.O.O.O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate?
The InChIKey is IYQJAGXFXWIEJE-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.3Mg.9H2O/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);;;;9*1H2/q;;3*+2;;;;;;;;;/p-6.
What are the key properties of trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate?
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate has a molecular weight of 613.25 g/mol, XLogP of -19.07, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate is sourced from PubChem (CID 53249332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).