cerium;lanthanum;2-oxopropanedioic acid

C3H2CeLaO5 — CID 175276289

IUPACcerium;lanthanum;2-oxopropanedioic acid
SMILESO=C(O)C(=O)C(=O)O.[Ce].[La]
InChIInChI=1S/C3H2O5.Ce.La/c4-1(2(5)6)3(7)8;;/h(H,5,6)(H,7,8);;
InChIKeyVFZMDJQILVJJEJ-UHFFFAOYSA-N
MW397.07 g/mol
LogP-1.28
Rot. Bonds2

About cerium;lanthanum;2-oxopropanedioic acid

cerium;lanthanum;2-oxopropanedioic acid (PubChem CID 175276289) has the molecular formula C3H2CeLaO5 and a molecular weight of 397.07 g/mol. Its IUPAC name is cerium;lanthanum;2-oxopropanedioic acid.

Molecular Properties

Compound Namecerium;lanthanum;2-oxopropanedioic acid
PubChem CID175276289
Molecular FormulaC3H2CeLaO5
Molecular Weight397.07 g/mol
Exact Mass396.80
IUPAC Namecerium;lanthanum;2-oxopropanedioic acid
SMILESO=C(O)C(=O)C(=O)O.[Ce].[La]
InChIInChI=1S/C3H2O5.Ce.La/c4-1(2(5)6)3(7)8;;/h(H,5,6)(H,7,8);;
InChIKeyVFZMDJQILVJJEJ-UHFFFAOYSA-N
XLogP-1.28
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 174542323
magnesium;hydride;2-oxopropanedioic acid
CID 174763054
beryllium;hydride;2-oxopropanedioic acid
CID 174837448
cerium;lanthanum;oxalic acid;praseodymium
CID 174586700
cerium;oxalic acid;decahydrate
CID 175012984
carbonic acid;cerium;lanthanum;hydrochloride
CID 174846579
carbonic acid;cerium;lanthanum;hydrofluoride
CID 175102046
magnesium oxalic acid
CID 54611841
oxalic acid;trihydrochloride
CID 140553783
magnesium;carbonic acid;dibromide
CID 175416809
californium;oxalic acid
CID 87427078
alumane;carbonic acid;lanthanum
CID 175608160

Frequently Asked Questions

What is the IUPAC name of cerium;lanthanum;2-oxopropanedioic acid?
The IUPAC name of cerium;lanthanum;2-oxopropanedioic acid (CID 175276289) is cerium;lanthanum;2-oxopropanedioic acid.
What is the SMILES notation for cerium;lanthanum;2-oxopropanedioic acid?
The canonical SMILES for cerium;lanthanum;2-oxopropanedioic acid is O=C(O)C(=O)C(=O)O.[Ce].[La].
What is the InChIKey of cerium;lanthanum;2-oxopropanedioic acid?
The InChIKey is VFZMDJQILVJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O5.Ce.La/c4-1(2(5)6)3(7)8;;/h(H,5,6)(H,7,8);;.
What are the key properties of cerium;lanthanum;2-oxopropanedioic acid?
cerium;lanthanum;2-oxopropanedioic acid has a molecular weight of 397.07 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;lanthanum;2-oxopropanedioic acid is sourced from PubChem (CID 175276289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).