lithium;hydroxyazanium;sulfate

H4LiNO5S — CID 139064348

IUPAClithium;hydroxyazanium;sulfate
SMILESO=S(=O)([O-])[O-].[Li+].[NH3+]O
InChIInChI=1S/Li.H4NO.H2O4S/c;1-2;1-5(2,3)4/h;2H,1H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyXESLCQPBQXXDBP-UHFFFAOYSA-L
MW137.04 g/mol
LogP-5.72
Rot. Bonds

About lithium;hydroxyazanium;sulfate

lithium;hydroxyazanium;sulfate (PubChem CID 139064348) has the molecular formula H4LiNO5S and a molecular weight of 137.04 g/mol. Its IUPAC name is lithium;hydroxyazanium;sulfate.

Molecular Properties

Compound Namelithium;hydroxyazanium;sulfate
PubChem CID139064348
Molecular FormulaH4LiNO5S
Molecular Weight137.04 g/mol
Exact Mass137.00
IUPAC Namelithium;hydroxyazanium;sulfate
SMILESO=S(=O)([O-])[O-].[Li+].[NH3+]O
InChIInChI=1S/Li.H4NO.H2O4S/c;1-2;1-5(2,3)4/h;2H,1H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyXESLCQPBQXXDBP-UHFFFAOYSA-L
XLogP-5.72
TPSA128.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.04
LogP ≤ 5-5.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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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CID 23041852
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hydroxymethylazanium;sulfate
CID 161009547
octaazanium;tetrasulfate
CID 86742620
CID 23615458
CID 23615458
silver;zinc;sulfate
CID 157447446
tris(vanadium);pentasulfate
CID 173042063
dilithium;cobalt;sulfate
CID 174060420
azanium sulfate
CID 21225610
aluminum;lithium;sulfate
CID 23446975
octacosacopper;pentasulfate
CID 173053964

Frequently Asked Questions

What is the IUPAC name of lithium;hydroxyazanium;sulfate?
The IUPAC name of lithium;hydroxyazanium;sulfate (CID 139064348) is lithium;hydroxyazanium;sulfate.
What is the SMILES notation for lithium;hydroxyazanium;sulfate?
The canonical SMILES for lithium;hydroxyazanium;sulfate is O=S(=O)([O-])[O-].[Li+].[NH3+]O.
What is the InChIKey of lithium;hydroxyazanium;sulfate?
The InChIKey is XESLCQPBQXXDBP-UHFFFAOYSA-L. The full InChI is InChI=1S/Li.H4NO.H2O4S/c;1-2;1-5(2,3)4/h;2H,1H3;(H2,1,2,3,4)/q2*+1;/p-2.
What are the key properties of lithium;hydroxyazanium;sulfate?
lithium;hydroxyazanium;sulfate has a molecular weight of 137.04 g/mol, XLogP of -5.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydroxyazanium;sulfate is sourced from PubChem (CID 139064348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).