calcium;sodium;dihydrogen phosphate;dichloride

H2CaCl2NaO4P — CID 174783945

IUPACcalcium;sodium;dihydrogen phosphate;dichloride
SMILESO=P([O-])(O)O.[Ca+2].[Cl-].[Cl-].[Na+]
InChIInChI=1S/Ca.2ClH.Na.H3O4P/c;;;;1-5(2,3)4/h;2*1H;;(H3,1,2,3,4)/q+2;;;+1;/p-3
InChIKeyOUEJWTAZVXIXDP-UHFFFAOYSA-K
MW230.96 g/mol
LogP-10.93
Rot. Bonds

About calcium;sodium;dihydrogen phosphate;dichloride

calcium;sodium;dihydrogen phosphate;dichloride (PubChem CID 174783945) has the molecular formula H2CaCl2NaO4P and a molecular weight of 230.96 g/mol. Its IUPAC name is calcium;sodium;dihydrogen phosphate;dichloride.

Molecular Properties

Compound Namecalcium;sodium;dihydrogen phosphate;dichloride
PubChem CID174783945
Molecular FormulaH2CaCl2NaO4P
Molecular Weight230.96 g/mol
Exact Mass229.86
IUPAC Namecalcium;sodium;dihydrogen phosphate;dichloride
SMILESO=P([O-])(O)O.[Ca+2].[Cl-].[Cl-].[Na+]
InChIInChI=1S/Ca.2ClH.Na.H3O4P/c;;;;1-5(2,3)4/h;2*1H;;(H3,1,2,3,4)/q+2;;;+1;/p-3
InChIKeyOUEJWTAZVXIXDP-UHFFFAOYSA-K
XLogP-10.93
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.96
LogP ≤ 5-10.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;dihydrogen phosphate;dichloride?
The IUPAC name of calcium;sodium;dihydrogen phosphate;dichloride (CID 174783945) is calcium;sodium;dihydrogen phosphate;dichloride.
What is the SMILES notation for calcium;sodium;dihydrogen phosphate;dichloride?
The canonical SMILES for calcium;sodium;dihydrogen phosphate;dichloride is O=P([O-])(O)O.[Ca+2].[Cl-].[Cl-].[Na+].
What is the InChIKey of calcium;sodium;dihydrogen phosphate;dichloride?
The InChIKey is OUEJWTAZVXIXDP-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.2ClH.Na.H3O4P/c;;;;1-5(2,3)4/h;2*1H;;(H3,1,2,3,4)/q+2;;;+1;/p-3.
What are the key properties of calcium;sodium;dihydrogen phosphate;dichloride?
calcium;sodium;dihydrogen phosphate;dichloride has a molecular weight of 230.96 g/mol, XLogP of -10.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;dihydrogen phosphate;dichloride is sourced from PubChem (CID 174783945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).