aluminum;guanidine;hydrogen sulfate;sulfate;hydrate

CH8AlN3O9S2 — CID 173272107

IUPACaluminum;guanidine;hydrogen sulfate;sulfate;hydrate
SMILESO.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Al+3].[H]N=C(N)N
InChIInChI=1S/CH5N3.Al.2H2O4S.H2O/c2-1(3)4;;2*1-5(2,3)4;/h(H5,2,3,4);;2*(H2,1,2,3,4);1H2/q;+3;;;/p-3
InChIKeyBIFPCEVPKUZPIX-UHFFFAOYSA-K
MW297.20 g/mol
LogP-4.70
Rot. Bonds

About aluminum;guanidine;hydrogen sulfate;sulfate;hydrate

aluminum;guanidine;hydrogen sulfate;sulfate;hydrate (PubChem CID 173272107) has the molecular formula CH8AlN3O9S2 and a molecular weight of 297.20 g/mol. Its IUPAC name is aluminum;guanidine;hydrogen sulfate;sulfate;hydrate.

Molecular Properties

Compound Namealuminum;guanidine;hydrogen sulfate;sulfate;hydrate
PubChem CID173272107
Molecular FormulaCH8AlN3O9S2
Molecular Weight297.20 g/mol
Exact Mass296.95
IUPAC Namealuminum;guanidine;hydrogen sulfate;sulfate;hydrate
SMILESO.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Al+3].[H]N=C(N)N
InChIInChI=1S/CH5N3.Al.2H2O4S.H2O/c2-1(3)4;;2*1-5(2,3)4;/h(H5,2,3,4);;2*(H2,1,2,3,4);1H2/q;+3;;;/p-3
InChIKeyBIFPCEVPKUZPIX-UHFFFAOYSA-K
XLogP-4.70
TPSA265.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 5-4.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

guanidine;sulfuric acid
CID 159331300
aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate
CID 172784585
sulfuric acid;sulfate;heptahydrate
CID 22403493
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
dialuminum;trisulfate;tetrahydrate
CID 169423459
dialuminum;trisulfate;decahydrate
CID 157389097
guanidine;sulfuric acid;urea
CID 87661004
aluminum;diaminomethylideneazanium;sulfate
CID 135853176
azane;hydrogen sulfate;vanadium;sulfate
CID 171375501
copper(1+);ethane-1,2-diamine;hydrogen sulfate
CID 23344051
oxovanadium(2+);sulfate;dihydrate
CID 19884450

Frequently Asked Questions

What is the IUPAC name of aluminum;guanidine;hydrogen sulfate;sulfate;hydrate?
The IUPAC name of aluminum;guanidine;hydrogen sulfate;sulfate;hydrate (CID 173272107) is aluminum;guanidine;hydrogen sulfate;sulfate;hydrate.
What is the SMILES notation for aluminum;guanidine;hydrogen sulfate;sulfate;hydrate?
The canonical SMILES for aluminum;guanidine;hydrogen sulfate;sulfate;hydrate is O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[Al+3].[H]N=C(N)N.
What is the InChIKey of aluminum;guanidine;hydrogen sulfate;sulfate;hydrate?
The InChIKey is BIFPCEVPKUZPIX-UHFFFAOYSA-K. The full InChI is InChI=1S/CH5N3.Al.2H2O4S.H2O/c2-1(3)4;;2*1-5(2,3)4;/h(H5,2,3,4);;2*(H2,1,2,3,4);1H2/q;+3;;;/p-3.
What are the key properties of aluminum;guanidine;hydrogen sulfate;sulfate;hydrate?
aluminum;guanidine;hydrogen sulfate;sulfate;hydrate has a molecular weight of 297.20 g/mol, XLogP of -4.70, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;guanidine;hydrogen sulfate;sulfate;hydrate is sourced from PubChem (CID 173272107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).