potassium;chromium(3+);disulfate;decahydrate

H20CrKO18S2 — CID 172850591

IUPACpotassium;chromium(3+);disulfate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[K+]
InChIInChI=1S/Cr.K.2H2O4S.10H2O/c;;2*1-5(2,3)4;;;;;;;;;;/h;;2*(H2,1,2,3,4);10*1H2/q+3;+1;;;;;;;;;;;;/p-4
InChIKeyXZZHBINGENNVOS-UHFFFAOYSA-J
MW463.37 g/mol
LogP-13.92
Rot. Bonds

About potassium;chromium(3+);disulfate;decahydrate

potassium;chromium(3+);disulfate;decahydrate (PubChem CID 172850591) has the molecular formula H20CrKO18S2 and a molecular weight of 463.37 g/mol. Its IUPAC name is potassium;chromium(3+);disulfate;decahydrate.

Molecular Properties

Compound Namepotassium;chromium(3+);disulfate;decahydrate
PubChem CID172850591
Molecular FormulaH20CrKO18S2
Molecular Weight463.37 g/mol
Exact Mass462.91
IUPAC Namepotassium;chromium(3+);disulfate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[K+]
InChIInChI=1S/Cr.K.2H2O4S.10H2O/c;;2*1-5(2,3)4;;;;;;;;;;/h;;2*(H2,1,2,3,4);10*1H2/q+3;+1;;;;;;;;;;;;/p-4
InChIKeyXZZHBINGENNVOS-UHFFFAOYSA-J
XLogP-13.92
TPSA475.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 5-13.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

chromium(3+);sulfate;hexahydrate
CID 21126657
potassium;chromium(2+);sulfate;dodecahydrate
CID 18668487
chromium(3+);chloride;sulfate;hexahydrate
CID 174996019
diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate
CID 135395391
dimagnesium;dipotassium;trisulfate;hexahydrate
CID 24848855
sulfate trihydrate
CID 22613957
dialuminum;dipotassium;hydride;trisulfate;dihydrate
CID 173094004
chromium;bis(chromium(3+));trisulfate
CID 174810761
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
chromium(3+);cobalt(2+);disulfate
CID 163918913
dialuminum;trisulfate;dotriacontahydrate
CID 172707347

Frequently Asked Questions

What is the IUPAC name of potassium;chromium(3+);disulfate;decahydrate?
The IUPAC name of potassium;chromium(3+);disulfate;decahydrate (CID 172850591) is potassium;chromium(3+);disulfate;decahydrate.
What is the SMILES notation for potassium;chromium(3+);disulfate;decahydrate?
The canonical SMILES for potassium;chromium(3+);disulfate;decahydrate is O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[K+].
What is the InChIKey of potassium;chromium(3+);disulfate;decahydrate?
The InChIKey is XZZHBINGENNVOS-UHFFFAOYSA-J. The full InChI is InChI=1S/Cr.K.2H2O4S.10H2O/c;;2*1-5(2,3)4;;;;;;;;;;/h;;2*(H2,1,2,3,4);10*1H2/q+3;+1;;;;;;;;;;;;/p-4.
What are the key properties of potassium;chromium(3+);disulfate;decahydrate?
potassium;chromium(3+);disulfate;decahydrate has a molecular weight of 463.37 g/mol, XLogP of -13.92, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;chromium(3+);disulfate;decahydrate is sourced from PubChem (CID 172850591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).