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

C12H24Mg3O21 — CID 172770656

IUPACtrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
SMILESO.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.7H2O/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);;;;7*1H2/q;;3*+2;;;;;;;/p-6
InChIKeyMXEPPJZSXYJXAP-UHFFFAOYSA-H
MW577.22 g/mol
LogP-17.42
Rot. Bonds10

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

trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate (PubChem CID 172770656) has the molecular formula C12H24Mg3O21 and a molecular weight of 577.22 g/mol. Its IUPAC name is trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate.

Molecular Properties

Compound Nametrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
PubChem CID172770656
Molecular FormulaC12H24Mg3O21
Molecular Weight577.22 g/mol
Exact Mass576.04
IUPAC Nametrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
SMILESO.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.7H2O/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);;;;7*1H2/q;;3*+2;;;;;;;/p-6
InChIKeyMXEPPJZSXYJXAP-UHFFFAOYSA-H
XLogP-17.42
TPSA501.74 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.22
LogP ≤ 5-17.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
CID 53249332
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);heptahydrate?
The IUPAC name of trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate (CID 172770656) is trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate.
What is the SMILES notation for trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate?
The canonical SMILES for trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate is 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);heptahydrate?
The InChIKey is MXEPPJZSXYJXAP-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.3Mg.7H2O/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);;;;7*1H2/q;;3*+2;;;;;;;/p-6.
What are the key properties of trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate?
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate has a molecular weight of 577.22 g/mol, XLogP of -17.42, 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);heptahydrate is sourced from PubChem (CID 172770656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).