sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid

C4H7FeNaO8S — CID 173172385

IUPACsodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid
SMILESO=C(O)/C=C/C(=O)O.O=S(=O)(O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C4H4O4.Fe.Na.H2O4S.H/c5-3(6)1-2-4(7)8;;;1-5(2,3)4;/h1-2H,(H,5,6)(H,7,8);;;(H2,1,2,3,4);/q;;+1;;-1/b2-1+;;;;
InChIKeyRJWNKURCBYARMM-MBCFVHIPSA-N
MW293.99 g/mol
LogP-3.83
Rot. Bonds2

About sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid

sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid (PubChem CID 173172385) has the molecular formula C4H7FeNaO8S and a molecular weight of 293.99 g/mol. Its IUPAC name is sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid.

Molecular Properties

Compound Namesodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid
PubChem CID173172385
Molecular FormulaC4H7FeNaO8S
Molecular Weight293.99 g/mol
Exact Mass293.91
IUPAC Namesodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid
SMILESO=C(O)/C=C/C(=O)O.O=S(=O)(O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C4H4O4.Fe.Na.H2O4S.H/c5-3(6)1-2-4(7)8;;;1-5(2,3)4;/h1-2H,(H,5,6)(H,7,8);;;(H2,1,2,3,4);/q;;+1;;-1/b2-1+;;;;
InChIKeyRJWNKURCBYARMM-MBCFVHIPSA-N
XLogP-3.83
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 5-3.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;formic acid;sulfuric acid
CID 174323029
sodium;(Z)-but-2-enedioic acid;hydride;lanthanum
CID 174878095
(E)-but-2-enedioic acid;iron
CID 5478817
sodium;hydride;hydrogen peroxide;sulfuric acid
CID 173021653
calcium;sodium;carbonic acid;hydride;sulfuric acid
CID 174433477
sodium;carbonic acid;hydride;silver;sulfuric acid
CID 173401704
sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
dilithium;carbonic acid;hydride;sulfuric acid
CID 173345515
(Z)-but-2-enedioic acid;manganese
CID 87121555
(Z)-but-2-enedioic acid;nickel
CID 24883656
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
tris(but-2-enedioic acid);hydrate
CID 173409563

Frequently Asked Questions

What is the IUPAC name of sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid?
The IUPAC name of sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid (CID 173172385) is sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid.
What is the SMILES notation for sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid?
The canonical SMILES for sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid is O=C(O)/C=C/C(=O)O.O=S(=O)(O)O.[Fe].[H-].[Na+].
What is the InChIKey of sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid?
The InChIKey is RJWNKURCBYARMM-MBCFVHIPSA-N. The full InChI is InChI=1S/C4H4O4.Fe.Na.H2O4S.H/c5-3(6)1-2-4(7)8;;;1-5(2,3)4;/h1-2H,(H,5,6)(H,7,8);;;(H2,1,2,3,4);/q;;+1;;-1/b2-1+;;;;.
What are the key properties of sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid?
sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid has a molecular weight of 293.99 g/mol, XLogP of -3.83, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid is sourced from PubChem (CID 173172385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).