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

C12H10Mg3O14 — CID 6099959

IUPACtrimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)
SMILESO=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/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);;;/q;;3*+2/p-6
InChIKeyPLSARIKBYIPYPF-UHFFFAOYSA-H
MW451.11 g/mol
LogP-11.65
Rot. Bonds10

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

trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate) (PubChem CID 6099959) has the molecular formula C12H10Mg3O14 and a molecular weight of 451.11 g/mol. Its IUPAC name is trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate).

Molecular Properties

Compound Nametrimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)
PubChem CID6099959
Molecular FormulaC12H10Mg3O14
Molecular Weight451.11 g/mol
Exact Mass449.96
IUPAC Nametrimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)
SMILESO=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/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);;;/q;;3*+2/p-6
InChIKeyPLSARIKBYIPYPF-UHFFFAOYSA-H
XLogP-11.65
TPSA281.24 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.11
LogP ≤ 5-11.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)?
The IUPAC name of trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate) (CID 6099959) is trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate).
What is the SMILES notation for trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)?
The canonical SMILES for trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate) is 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)?
The InChIKey is PLSARIKBYIPYPF-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.3Mg/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);;;/q;;3*+2/p-6.
What are the key properties of trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)?
trimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate) has a molecular weight of 451.11 g/mol, XLogP of -11.65, 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) is sourced from PubChem (CID 6099959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).