bis(2-carboxy-4,6-diiodophenolate);manganese(2+)

C14H6I4MnO6 — CID 54728317

IUPACbis(2-carboxy-4,6-diiodophenolate);manganese(2+)
SMILESO=C(O)c1cc(I)cc(I)c1[O-].O=C(O)c1cc(I)cc(I)c1[O-].[Mn+2]
InChIInChI=1S/2C7H4I2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+2/p-2
InChIKeyXCXVDWIXRGHXQR-UHFFFAOYSA-L
MW832.75 g/mol
LogP3.33
Rot. Bonds2

About bis(2-carboxy-4,6-diiodophenolate);manganese(2+)

bis(2-carboxy-4,6-diiodophenolate);manganese(2+) (PubChem CID 54728317) has the molecular formula C14H6I4MnO6 and a molecular weight of 832.75 g/mol. Its IUPAC name is bis(2-carboxy-4,6-diiodophenolate);manganese(2+).

Molecular Properties

Compound Namebis(2-carboxy-4,6-diiodophenolate);manganese(2+)
PubChem CID54728317
Molecular FormulaC14H6I4MnO6
Molecular Weight832.75 g/mol
Exact Mass832.57
IUPAC Namebis(2-carboxy-4,6-diiodophenolate);manganese(2+)
SMILESO=C(O)c1cc(I)cc(I)c1[O-].O=C(O)c1cc(I)cc(I)c1[O-].[Mn+2]
InChIInChI=1S/2C7H4I2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+2/p-2
InChIKeyXCXVDWIXRGHXQR-UHFFFAOYSA-L
XLogP3.33
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500832.75
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-carboxy-4,6-diiodophenolate);manganese(2+)?
The IUPAC name of bis(2-carboxy-4,6-diiodophenolate);manganese(2+) (CID 54728317) is bis(2-carboxy-4,6-diiodophenolate);manganese(2+).
What is the SMILES notation for bis(2-carboxy-4,6-diiodophenolate);manganese(2+)?
The canonical SMILES for bis(2-carboxy-4,6-diiodophenolate);manganese(2+) is O=C(O)c1cc(I)cc(I)c1[O-].O=C(O)c1cc(I)cc(I)c1[O-].[Mn+2].
What is the InChIKey of bis(2-carboxy-4,6-diiodophenolate);manganese(2+)?
The InChIKey is XCXVDWIXRGHXQR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H4I2O3.Mn/c2*8-3-1-4(7(11)12)6(10)5(9)2-3;/h2*1-2,10H,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(2-carboxy-4,6-diiodophenolate);manganese(2+)?
bis(2-carboxy-4,6-diiodophenolate);manganese(2+) has a molecular weight of 832.75 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-carboxy-4,6-diiodophenolate);manganese(2+) is sourced from PubChem (CID 54728317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).