carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)

C7H4O8Ru — CID 10448493

IUPACcarbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)
SMILESO=C([O-])COCC(=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+2]
InChIInChI=1S/C4H6O5.3CO.Ru/c5-3(6)1-9-2-4(7)8;3*1-2;/h1-2H2,(H,5,6)(H,7,8);;;;/q;;;;+2/p-2
InChIKeyLQFMVVGYWJIVKG-UHFFFAOYSA-L
MW317.17 g/mol
LogP-3.61
Rot. Bonds4

About carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)

carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+) (PubChem CID 10448493) has the molecular formula C7H4O8Ru and a molecular weight of 317.17 g/mol. Its IUPAC name is carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+).

Molecular Properties

Compound Namecarbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)
PubChem CID10448493
Molecular FormulaC7H4O8Ru
Molecular Weight317.17 g/mol
Exact Mass317.89
IUPAC Namecarbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)
SMILESO=C([O-])COCC(=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+2]
InChIInChI=1S/C4H6O5.3CO.Ru/c5-3(6)1-9-2-4(7)8;3*1-2;/h1-2H2,(H,5,6)(H,7,8);;;;/q;;;;+2/p-2
InChIKeyLQFMVVGYWJIVKG-UHFFFAOYSA-L
XLogP-3.61
TPSA149.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
tetrakis(2-(carboxylatomethoxy)acetate);tetrakis(2-oxoacetate);zirconium;tris(zirconium(4+))
CID 173204287
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
2-(2-hydroxyethoxy)acetate
CID 22628635
2-prop-2-enoxyacetate
CID 19028340
dioxouranium(2+);bis(2-ethoxyacetate)
CID 19374008
2-methanidyloxyacetate;methanolate
CID 90717089
sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 165437635
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
disodium bis(2-sulfooxyacetate)
CID 173459590
potassium 2-aminooxyacetate
CID 167313621
barium(2+);bis(2-methoxyacetate)
CID 88657250

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)?
The IUPAC name of carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+) (CID 10448493) is carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+).
What is the SMILES notation for carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)?
The canonical SMILES for carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+) is O=C([O-])COCC(=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+2].
What is the InChIKey of carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)?
The InChIKey is LQFMVVGYWJIVKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O5.3CO.Ru/c5-3(6)1-9-2-4(7)8;3*1-2;/h1-2H2,(H,5,6)(H,7,8);;;;/q;;;;+2/p-2.
What are the key properties of carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)?
carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+) has a molecular weight of 317.17 g/mol, XLogP of -3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+) is sourced from PubChem (CID 10448493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).