calcium;potassium;sodium;disulfate

CaKNaO8S2 — CID 161253468

IUPACcalcium;potassium;sodium;disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[K+].[Na+]
InChIInChI=1S/Ca.K.Na.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q+2;2*+1;;/p-4
InChIKeyVBOVZBUJMQWVTQ-UHFFFAOYSA-J
MW294.29 g/mol
LogP-9.05
Rot. Bonds

About calcium;potassium;sodium;disulfate

calcium;potassium;sodium;disulfate (PubChem CID 161253468) has the molecular formula CaKNaO8S2 and a molecular weight of 294.29 g/mol. Its IUPAC name is calcium;potassium;sodium;disulfate.

Molecular Properties

Compound Namecalcium;potassium;sodium;disulfate
PubChem CID161253468
Molecular FormulaCaKNaO8S2
Molecular Weight294.29 g/mol
Exact Mass293.82
IUPAC Namecalcium;potassium;sodium;disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[K+].[Na+]
InChIInChI=1S/Ca.K.Na.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q+2;2*+1;;/p-4
InChIKeyVBOVZBUJMQWVTQ-UHFFFAOYSA-J
XLogP-9.05
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-9.05
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

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Frequently Asked Questions

What is the IUPAC name of calcium;potassium;sodium;disulfate?
The IUPAC name of calcium;potassium;sodium;disulfate (CID 161253468) is calcium;potassium;sodium;disulfate.
What is the SMILES notation for calcium;potassium;sodium;disulfate?
The canonical SMILES for calcium;potassium;sodium;disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[K+].[Na+].
What is the InChIKey of calcium;potassium;sodium;disulfate?
The InChIKey is VBOVZBUJMQWVTQ-UHFFFAOYSA-J. The full InChI is InChI=1S/Ca.K.Na.2H2O4S/c;;;2*1-5(2,3)4/h;;;2*(H2,1,2,3,4)/q+2;2*+1;;/p-4.
What are the key properties of calcium;potassium;sodium;disulfate?
calcium;potassium;sodium;disulfate has a molecular weight of 294.29 g/mol, XLogP of -9.05, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;sodium;disulfate is sourced from PubChem (CID 161253468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).