sodium;(Z)-but-2-enedioic acid;hydride;lanthanum

C4H5LaNaO4 — CID 174878095

IUPACsodium;(Z)-but-2-enedioic acid;hydride;lanthanum
SMILESO=C(O)/C=C\C(=O)O.[H-].[La].[Na+]
InChIInChI=1S/C4H4O4.La.Na.H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;;+1;-1/b2-1-;;;
InChIKeyWZPPHEXXKGRLGY-GRHBHMESSA-N
MW278.98 g/mol
LogP-3.17
Rot. Bonds2

About sodium;(Z)-but-2-enedioic acid;hydride;lanthanum

sodium;(Z)-but-2-enedioic acid;hydride;lanthanum (PubChem CID 174878095) has the molecular formula C4H5LaNaO4 and a molecular weight of 278.98 g/mol. Its IUPAC name is sodium;(Z)-but-2-enedioic acid;hydride;lanthanum.

Molecular Properties

Compound Namesodium;(Z)-but-2-enedioic acid;hydride;lanthanum
PubChem CID174878095
Molecular FormulaC4H5LaNaO4
Molecular Weight278.98 g/mol
Exact Mass278.91
IUPAC Namesodium;(Z)-but-2-enedioic acid;hydride;lanthanum
SMILESO=C(O)/C=C\C(=O)O.[H-].[La].[Na+]
InChIInChI=1S/C4H4O4.La.Na.H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;;+1;-1/b2-1-;;;
InChIKeyWZPPHEXXKGRLGY-GRHBHMESSA-N
XLogP-3.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.98
LogP ≤ 5-3.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze sodium;(Z)-but-2-enedioic acid;hydride;lanthanum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
(Z)-but-2-enedioic acid;gold
CID 174837134
but-2-enedioic acid;dihydrate
CID 76541248
azane;bis((E)-but-2-enedioic acid)
CID 87996706

Frequently Asked Questions

What is the IUPAC name of sodium;(Z)-but-2-enedioic acid;hydride;lanthanum?
The IUPAC name of sodium;(Z)-but-2-enedioic acid;hydride;lanthanum (CID 174878095) is sodium;(Z)-but-2-enedioic acid;hydride;lanthanum.
What is the SMILES notation for sodium;(Z)-but-2-enedioic acid;hydride;lanthanum?
The canonical SMILES for sodium;(Z)-but-2-enedioic acid;hydride;lanthanum is O=C(O)/C=C\C(=O)O.[H-].[La].[Na+].
What is the InChIKey of sodium;(Z)-but-2-enedioic acid;hydride;lanthanum?
The InChIKey is WZPPHEXXKGRLGY-GRHBHMESSA-N. The full InChI is InChI=1S/C4H4O4.La.Na.H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;;+1;-1/b2-1-;;;.
What are the key properties of sodium;(Z)-but-2-enedioic acid;hydride;lanthanum?
sodium;(Z)-but-2-enedioic acid;hydride;lanthanum has a molecular weight of 278.98 g/mol, XLogP of -3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(Z)-but-2-enedioic acid;hydride;lanthanum is sourced from PubChem (CID 174878095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).