aluminum;sodium;formate;sulfate

CHAlNaO6S+ — CID 158070175

IUPACaluminum;sodium;formate;sulfate
SMILESO=C[O-].O=S(=O)([O-])[O-].[Al+3].[Na+]
InChIInChI=1S/CH2O2.Al.Na.H2O4S/c2-1-3;;;1-5(2,3)4/h1H,(H,2,3);;;(H2,1,2,3,4)/q;+3;+1;/p-3
InChIKeyIUKCJWGYLBWBIX-UHFFFAOYSA-K
MW191.05 g/mol
LogP-6.35
Rot. Bonds

About aluminum;sodium;formate;sulfate

aluminum;sodium;formate;sulfate (PubChem CID 158070175) has the molecular formula CHAlNaO6S+ and a molecular weight of 191.05 g/mol. Its IUPAC name is aluminum;sodium;formate;sulfate.

Molecular Properties

Compound Namealuminum;sodium;formate;sulfate
PubChem CID158070175
Molecular FormulaCHAlNaO6S+
Molecular Weight191.05 g/mol
Exact Mass190.92
IUPAC Namealuminum;sodium;formate;sulfate
SMILESO=C[O-].O=S(=O)([O-])[O-].[Al+3].[Na+]
InChIInChI=1S/CH2O2.Al.Na.H2O4S/c2-1-3;;;1-5(2,3)4/h1H,(H,2,3);;;(H2,1,2,3,4)/q;+3;+1;/p-3
InChIKeyIUKCJWGYLBWBIX-UHFFFAOYSA-K
XLogP-6.35
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.05
LogP ≤ 5-6.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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bis(ytterbium(3+));trisulfate;octahydrate
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Frequently Asked Questions

What is the IUPAC name of aluminum;sodium;formate;sulfate?
The IUPAC name of aluminum;sodium;formate;sulfate (CID 158070175) is aluminum;sodium;formate;sulfate.
What is the SMILES notation for aluminum;sodium;formate;sulfate?
The canonical SMILES for aluminum;sodium;formate;sulfate is O=C[O-].O=S(=O)([O-])[O-].[Al+3].[Na+].
What is the InChIKey of aluminum;sodium;formate;sulfate?
The InChIKey is IUKCJWGYLBWBIX-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O2.Al.Na.H2O4S/c2-1-3;;;1-5(2,3)4/h1H,(H,2,3);;;(H2,1,2,3,4)/q;+3;+1;/p-3.
What are the key properties of aluminum;sodium;formate;sulfate?
aluminum;sodium;formate;sulfate has a molecular weight of 191.05 g/mol, XLogP of -6.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;sodium;formate;sulfate is sourced from PubChem (CID 158070175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).