tris(2-hydroxyacetate);iridium(3+)

C6H9IrO9 — CID 158441249

IUPACtris(2-hydroxyacetate);iridium(3+)
SMILESO=C([O-])CO.O=C([O-])CO.O=C([O-])CO.[Ir+3]
InChIInChI=1S/3C2H4O3.Ir/c3*3-1-2(4)5;/h3*3H,1H2,(H,4,5);/q;;;+3/p-3
InChIKeyHCVNFMQJGRZHDV-UHFFFAOYSA-K
MW417.35 g/mol
LogP-6.82
Rot. Bonds3

About tris(2-hydroxyacetate);iridium(3+)

tris(2-hydroxyacetate);iridium(3+) (PubChem CID 158441249) has the molecular formula C6H9IrO9 and a molecular weight of 417.35 g/mol. Its IUPAC name is tris(2-hydroxyacetate);iridium(3+).

Molecular Properties

Compound Nametris(2-hydroxyacetate);iridium(3+)
PubChem CID158441249
Molecular FormulaC6H9IrO9
Molecular Weight417.35 g/mol
Exact Mass417.99
IUPAC Nametris(2-hydroxyacetate);iridium(3+)
SMILESO=C([O-])CO.O=C([O-])CO.O=C([O-])CO.[Ir+3]
InChIInChI=1S/3C2H4O3.Ir/c3*3-1-2(4)5;/h3*3H,1H2,(H,4,5);/q;;;+3/p-3
InChIKeyHCVNFMQJGRZHDV-UHFFFAOYSA-K
XLogP-6.82
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 5-6.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-hydroxyacetate
CID 5460308
dipotassium bis(2-hydroxyacetate)
CID 140653272
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
zinc bis(2-hydroxyacetate)
CID 15245444
2-hydroxyacetate;iron(2+)
CID 18504415
tris(2-hydroxyacetate);yttrium(3+)
CID 161004200
magnesium;2-hydroxyacetate;chloride
CID 18799087
azanium;2-hydroxyacetate;titanium
CID 173336650
bis(2-hydroxyacetate);titanium(2+);dihydrate
CID 87109792
trisodium;tris(2-hydroxyacetate);(2-hydroxyacetic acid)
CID 173437096
disodium;2-hydroxyacetate;oxido(dioxo)tungsten
CID 88681713
2-hydroxyacetate;tri(propan-2-yl)azanium
CID 139301397

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyacetate);iridium(3+)?
The IUPAC name of tris(2-hydroxyacetate);iridium(3+) (CID 158441249) is tris(2-hydroxyacetate);iridium(3+).
What is the SMILES notation for tris(2-hydroxyacetate);iridium(3+)?
The canonical SMILES for tris(2-hydroxyacetate);iridium(3+) is O=C([O-])CO.O=C([O-])CO.O=C([O-])CO.[Ir+3].
What is the InChIKey of tris(2-hydroxyacetate);iridium(3+)?
The InChIKey is HCVNFMQJGRZHDV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O3.Ir/c3*3-1-2(4)5;/h3*3H,1H2,(H,4,5);/q;;;+3/p-3.
What are the key properties of tris(2-hydroxyacetate);iridium(3+)?
tris(2-hydroxyacetate);iridium(3+) has a molecular weight of 417.35 g/mol, XLogP of -6.82, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyacetate);iridium(3+) is sourced from PubChem (CID 158441249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).