pentazinc;chromium;decahydroxide;dihydrate

H14CrO12Zn5 — CID 170841834

IUPACpentazinc;chromium;decahydroxide;dihydrate
SMILESO.O.[Cr].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/Cr.12H2O.5Zn/h;12*1H2;;;;;/q;;;;;;;;;;;;;5*+2/p-10
InChIKeyPBJRVOILJSJIMP-UHFFFAOYSA-D
MW585.05 g/mol
LogP-3.43
Rot. Bonds

About pentazinc;chromium;decahydroxide;dihydrate

pentazinc;chromium;decahydroxide;dihydrate (PubChem CID 170841834) has the molecular formula H14CrO12Zn5 and a molecular weight of 585.05 g/mol. Its IUPAC name is pentazinc;chromium;decahydroxide;dihydrate.

Molecular Properties

Compound Namepentazinc;chromium;decahydroxide;dihydrate
PubChem CID170841834
Molecular FormulaH14CrO12Zn5
Molecular Weight585.05 g/mol
Exact Mass577.63
IUPAC Namepentazinc;chromium;decahydroxide;dihydrate
SMILESO.O.[Cr].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/Cr.12H2O.5Zn/h;12*1H2;;;;;/q;;;;;;;;;;;;;5*+2/p-10
InChIKeyPBJRVOILJSJIMP-UHFFFAOYSA-D
XLogP-3.43
TPSA363.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.05
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 170850187
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CID 131675713
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copper;chromium;dihydroxide;dihydrate
CID 170853399
chromium;chromium(2+);dihydroxide;dihydrate
CID 170842256
zinc tetrahydroxide
CID 15820948
nickel(2+);hexahydrate
CID 5251517
zinc;oxygen(2-);vanadium;hydroxide;hydrate
CID 172697407
zinc;nickel(2+);titanium;tetrahydroxide
CID 173231623
chromium;iron;trihydrate
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aluminum;hydroxide;trihydrate
CID 18626661

Frequently Asked Questions

What is the IUPAC name of pentazinc;chromium;decahydroxide;dihydrate?
The IUPAC name of pentazinc;chromium;decahydroxide;dihydrate (CID 170841834) is pentazinc;chromium;decahydroxide;dihydrate.
What is the SMILES notation for pentazinc;chromium;decahydroxide;dihydrate?
The canonical SMILES for pentazinc;chromium;decahydroxide;dihydrate is O.O.[Cr].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of pentazinc;chromium;decahydroxide;dihydrate?
The InChIKey is PBJRVOILJSJIMP-UHFFFAOYSA-D. The full InChI is InChI=1S/Cr.12H2O.5Zn/h;12*1H2;;;;;/q;;;;;;;;;;;;;5*+2/p-10.
What are the key properties of pentazinc;chromium;decahydroxide;dihydrate?
pentazinc;chromium;decahydroxide;dihydrate has a molecular weight of 585.05 g/mol, XLogP of -3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentazinc;chromium;decahydroxide;dihydrate is sourced from PubChem (CID 170841834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).