pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate

H33Al5Mg10O40S2 — CID 122706784

IUPACpentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/5Al.10Mg.2H2O4S.32H2O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);32*1H2/q5*+3;10*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-35
InChIKeySPPNVMTVMQOKSC-UHFFFAOYSA-A
MW1115.32 g/mol
LogP-14.69
Rot. Bonds

About pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate

pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate (PubChem CID 122706784) has the molecular formula H33Al5Mg10O40S2 and a molecular weight of 1115.32 g/mol. Its IUPAC name is pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate.

Molecular Properties

Compound Namepentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate
PubChem CID122706784
Molecular FormulaH33Al5Mg10O40S2
Molecular Weight1115.32 g/mol
Exact Mass1111.76
IUPAC Namepentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/5Al.10Mg.2H2O4S.32H2O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);32*1H2/q5*+3;10*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-35
InChIKeySPPNVMTVMQOKSC-UHFFFAOYSA-A
XLogP-14.69
TPSA1122.02 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.32
LogP ≤ 5-14.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

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

aluminum;magnesium;sulfate;heptahydrate
CID 158341070
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
dialuminum;trisulfate;tetrahydrate
CID 169423459
dialuminum;trisulfate;decahydrate
CID 157389097
dimagnesium;dipotassium;trisulfate;hexahydrate
CID 24848855
dicalcium;hydroxide;sulfate;hydrate
CID 160810730
aluminum;potassium;hydroxide;sulfate
CID 160568468
azanium;magnesium;hydroxide;sulfate
CID 160623345
oxovanadium(2+);sulfate;dihydrate
CID 19884450
aluminum;lithium;sulfate
CID 23446975
sulfate trihydrate
CID 22613957

Frequently Asked Questions

What is the IUPAC name of pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate?
The IUPAC name of pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate (CID 122706784) is pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate.
What is the SMILES notation for pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate?
The canonical SMILES for pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate is O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate?
The InChIKey is SPPNVMTVMQOKSC-UHFFFAOYSA-A. The full InChI is InChI=1S/5Al.10Mg.2H2O4S.32H2O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);32*1H2/q5*+3;10*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-35.
What are the key properties of pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate?
pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate has a molecular weight of 1115.32 g/mol, XLogP of -14.69, 0 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate is sourced from PubChem (CID 122706784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).