aluminum;calcium;sodium;dihydroxide;sulfate

H2AlCaNaO6S+2 — CID 172701795

IUPACaluminum;calcium;sodium;dihydroxide;sulfate
SMILESO=S(=O)([O-])[O-].[Al+3].[Ca+2].[Na+].[OH-].[OH-]
InChIInChI=1S/Al.Ca.Na.H2O4S.2H2O/c;;;1-5(2,3)4;;/h;;;(H2,1,2,3,4);2*1H2/q+3;+2;+1;;;/p-4
InChIKeyDBDYMIJAGOCCPN-UHFFFAOYSA-J
MW220.13 g/mol
LogP-5.45
Rot. Bonds

About aluminum;calcium;sodium;dihydroxide;sulfate

aluminum;calcium;sodium;dihydroxide;sulfate (PubChem CID 172701795) has the molecular formula H2AlCaNaO6S+2 and a molecular weight of 220.13 g/mol. Its IUPAC name is aluminum;calcium;sodium;dihydroxide;sulfate.

Molecular Properties

Compound Namealuminum;calcium;sodium;dihydroxide;sulfate
PubChem CID172701795
Molecular FormulaH2AlCaNaO6S+2
Molecular Weight220.13 g/mol
Exact Mass219.89
IUPAC Namealuminum;calcium;sodium;dihydroxide;sulfate
SMILESO=S(=O)([O-])[O-].[Al+3].[Ca+2].[Na+].[OH-].[OH-]
InChIInChI=1S/Al.Ca.Na.H2O4S.2H2O/c;;;1-5(2,3)4;;/h;;;(H2,1,2,3,4);2*1H2/q+3;+2;+1;;;/p-4
InChIKeyDBDYMIJAGOCCPN-UHFFFAOYSA-J
XLogP-5.45
TPSA140.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 5-5.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;sodium;dihydroxide;sulfate?
The IUPAC name of aluminum;calcium;sodium;dihydroxide;sulfate (CID 172701795) is aluminum;calcium;sodium;dihydroxide;sulfate.
What is the SMILES notation for aluminum;calcium;sodium;dihydroxide;sulfate?
The canonical SMILES for aluminum;calcium;sodium;dihydroxide;sulfate is O=S(=O)([O-])[O-].[Al+3].[Ca+2].[Na+].[OH-].[OH-].
What is the InChIKey of aluminum;calcium;sodium;dihydroxide;sulfate?
The InChIKey is DBDYMIJAGOCCPN-UHFFFAOYSA-J. The full InChI is InChI=1S/Al.Ca.Na.H2O4S.2H2O/c;;;1-5(2,3)4;;/h;;;(H2,1,2,3,4);2*1H2/q+3;+2;+1;;;/p-4.
What are the key properties of aluminum;calcium;sodium;dihydroxide;sulfate?
aluminum;calcium;sodium;dihydroxide;sulfate has a molecular weight of 220.13 g/mol, XLogP of -5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;sodium;dihydroxide;sulfate is sourced from PubChem (CID 172701795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).