dialuminum;dipotassium;chromium;hydride;nickel;trisulfate

H2Al2Cr2K2Ni2O12S3 — CID 173445009

IUPACdialuminum;dipotassium;chromium;hydride;nickel;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Cr].[Cr].[H-].[H-].[K+].[K+].[Ni].[Ni]
InChIInChI=1S/2Al.2Cr.2K.2Ni.3H2O4S.2H/c;;;;;;;;3*1-5(2,3)4;;/h;;;;;;;;3*(H2,1,2,3,4);;/q2*+3;;;2*+1;;;;;;2*-1/p-6
InChIKeyHHORHAZLQCTTTH-UHFFFAOYSA-H
MW643.74 g/mol
LogP-10.55
Rot. Bonds

About dialuminum;dipotassium;chromium;hydride;nickel;trisulfate

dialuminum;dipotassium;chromium;hydride;nickel;trisulfate (PubChem CID 173445009) has the molecular formula H2Al2Cr2K2Ni2O12S3 and a molecular weight of 643.74 g/mol. Its IUPAC name is dialuminum;dipotassium;chromium;hydride;nickel;trisulfate.

Molecular Properties

Compound Namedialuminum;dipotassium;chromium;hydride;nickel;trisulfate
PubChem CID173445009
Molecular FormulaH2Al2Cr2K2Ni2O12S3
Molecular Weight643.74 g/mol
Exact Mass641.51
IUPAC Namedialuminum;dipotassium;chromium;hydride;nickel;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Cr].[Cr].[H-].[H-].[K+].[K+].[Ni].[Ni]
InChIInChI=1S/2Al.2Cr.2K.2Ni.3H2O4S.2H/c;;;;;;;;3*1-5(2,3)4;;/h;;;;;;;;3*(H2,1,2,3,4);;/q2*+3;;;2*+1;;;;;;2*-1/p-6
InChIKeyHHORHAZLQCTTTH-UHFFFAOYSA-H
XLogP-10.55
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.74
LogP ≤ 5-10.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;dipotassium;hydride;trisulfate;dihydrate
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aluminum;lithium;sulfate
CID 23446975
dialuminum;trisulfate;tetrahydrate
CID 169423459
aluminum;gadolinium(3+);trisulfate
CID 159047443
chromium;bis(chromium(3+));trisulfate
CID 174810761
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
dialuminum;azane;trisulfate
CID 162155336
tripotassium;titanium(2+);sulfate
CID 19377241
beryllium;potassium;sulfate
CID 20841736
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533

Frequently Asked Questions

What is the IUPAC name of dialuminum;dipotassium;chromium;hydride;nickel;trisulfate?
The IUPAC name of dialuminum;dipotassium;chromium;hydride;nickel;trisulfate (CID 173445009) is dialuminum;dipotassium;chromium;hydride;nickel;trisulfate.
What is the SMILES notation for dialuminum;dipotassium;chromium;hydride;nickel;trisulfate?
The canonical SMILES for dialuminum;dipotassium;chromium;hydride;nickel;trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Cr].[Cr].[H-].[H-].[K+].[K+].[Ni].[Ni].
What is the InChIKey of dialuminum;dipotassium;chromium;hydride;nickel;trisulfate?
The InChIKey is HHORHAZLQCTTTH-UHFFFAOYSA-H. The full InChI is InChI=1S/2Al.2Cr.2K.2Ni.3H2O4S.2H/c;;;;;;;;3*1-5(2,3)4;;/h;;;;;;;;3*(H2,1,2,3,4);;/q2*+3;;;2*+1;;;;;;2*-1/p-6.
What are the key properties of dialuminum;dipotassium;chromium;hydride;nickel;trisulfate?
dialuminum;dipotassium;chromium;hydride;nickel;trisulfate has a molecular weight of 643.74 g/mol, XLogP of -10.55, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;dipotassium;chromium;hydride;nickel;trisulfate is sourced from PubChem (CID 173445009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).