calcium;phosphoric acid;dihydroxide

H5CaO6P — CID 173166730

IUPACcalcium;phosphoric acid;dihydroxide
SMILESO=P(O)(O)O.[Ca+2].[OH-].[OH-]
InChIInChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKeyXAAHAAMILDNBPS-UHFFFAOYSA-L
MW172.09 g/mol
LogP-1.66
Rot. Bonds

About calcium;phosphoric acid;dihydroxide

calcium;phosphoric acid;dihydroxide (PubChem CID 173166730) has the molecular formula H5CaO6P and a molecular weight of 172.09 g/mol. Its IUPAC name is calcium;phosphoric acid;dihydroxide.

Molecular Properties

Compound Namecalcium;phosphoric acid;dihydroxide
PubChem CID173166730
Molecular FormulaH5CaO6P
Molecular Weight172.09 g/mol
Exact Mass171.94
IUPAC Namecalcium;phosphoric acid;dihydroxide
SMILESO=P(O)(O)O.[Ca+2].[OH-].[OH-]
InChIInChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKeyXAAHAAMILDNBPS-UHFFFAOYSA-L
XLogP-1.66
TPSA137.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;phosphoric acid;dihydroxide?
The IUPAC name of calcium;phosphoric acid;dihydroxide (CID 173166730) is calcium;phosphoric acid;dihydroxide.
What is the SMILES notation for calcium;phosphoric acid;dihydroxide?
The canonical SMILES for calcium;phosphoric acid;dihydroxide is O=P(O)(O)O.[Ca+2].[OH-].[OH-].
What is the InChIKey of calcium;phosphoric acid;dihydroxide?
The InChIKey is XAAHAAMILDNBPS-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2.
What are the key properties of calcium;phosphoric acid;dihydroxide?
calcium;phosphoric acid;dihydroxide has a molecular weight of 172.09 g/mol, XLogP of -1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;phosphoric acid;dihydroxide is sourced from PubChem (CID 173166730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).