tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)

C12H10Co3O14 — CID 13343

IUPACtris(cobalt(2+));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-].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/2C6H8O7.3Co/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
InChIKeyIEXXNGVQCLMTKU-UHFFFAOYSA-H
MW555.00 g/mol
LogP-10.51
Rot. Bonds10

About tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)

tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate) (PubChem CID 13343) has the molecular formula C12H10Co3O14 and a molecular weight of 555.00 g/mol. Its IUPAC name is tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate).

Molecular Properties

Compound Nametris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
PubChem CID13343
Molecular FormulaC12H10Co3O14
Molecular Weight555.00 g/mol
Exact Mass554.81
IUPAC Nametris(cobalt(2+));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-].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/2C6H8O7.3Co/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
InChIKeyIEXXNGVQCLMTKU-UHFFFAOYSA-H
XLogP-10.51
TPSA281.24 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.00
LogP ≤ 5-10.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)?
The IUPAC name of tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate) (CID 13343) is tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate).
What is the SMILES notation for tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)?
The canonical SMILES for tris(cobalt(2+));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-].[Co+2].[Co+2].[Co+2].
What is the InChIKey of tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)?
The InChIKey is IEXXNGVQCLMTKU-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.3Co/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 tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)?
tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate) has a molecular weight of 555.00 g/mol, XLogP of -10.51, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate) is sourced from PubChem (CID 13343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).