calcium;zinc;phosphorous acid

H3CaO3PZn+4 — CID 175737879

IUPACcalcium;zinc;phosphorous acid
SMILESOP(O)O.[Ca+2].[Zn+2]
InChIInChI=1S/Ca.H3O3P.Zn/c;1-4(2)3;/h;1-3H;/q+2;;+2
InChIKeyJRGQYGWVBLIZCG-UHFFFAOYSA-N
MW187.46 g/mol
LogP-1.19
Rot. Bonds

About calcium;zinc;phosphorous acid

calcium;zinc;phosphorous acid (PubChem CID 175737879) has the molecular formula H3CaO3PZn+4 and a molecular weight of 187.46 g/mol. Its IUPAC name is calcium;zinc;phosphorous acid.

Molecular Properties

Compound Namecalcium;zinc;phosphorous acid
PubChem CID175737879
Molecular FormulaH3CaO3PZn+4
Molecular Weight187.46 g/mol
Exact Mass185.87
IUPAC Namecalcium;zinc;phosphorous acid
SMILESOP(O)O.[Ca+2].[Zn+2]
InChIInChI=1S/Ca.H3O3P.Zn/c;1-4(2)3;/h;1-3H;/q+2;;+2
InChIKeyJRGQYGWVBLIZCG-UHFFFAOYSA-N
XLogP-1.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.46
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;zinc;phosphorous acid?
The IUPAC name of calcium;zinc;phosphorous acid (CID 175737879) is calcium;zinc;phosphorous acid.
What is the SMILES notation for calcium;zinc;phosphorous acid?
The canonical SMILES for calcium;zinc;phosphorous acid is OP(O)O.[Ca+2].[Zn+2].
What is the InChIKey of calcium;zinc;phosphorous acid?
The InChIKey is JRGQYGWVBLIZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H3O3P.Zn/c;1-4(2)3;/h;1-3H;/q+2;;+2.
What are the key properties of calcium;zinc;phosphorous acid?
calcium;zinc;phosphorous acid has a molecular weight of 187.46 g/mol, XLogP of -1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;zinc;phosphorous acid is sourced from PubChem (CID 175737879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).