calcium;hydron;phosphoric acid

H5CaO4P+4 — CID 172996897

IUPACcalcium;hydron;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[H+].[H+]
InChIInChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p+2
InChIKeyFUFJGUQYACFECW-UHFFFAOYSA-P
MW140.09 g/mol
LogP-1.08
Rot. Bonds

About calcium;hydron;phosphoric acid

calcium;hydron;phosphoric acid (PubChem CID 172996897) has the molecular formula H5CaO4P+4 and a molecular weight of 140.09 g/mol. Its IUPAC name is calcium;hydron;phosphoric acid.

Molecular Properties

Compound Namecalcium;hydron;phosphoric acid
PubChem CID172996897
Molecular FormulaH5CaO4P+4
Molecular Weight140.09 g/mol
Exact Mass139.95
IUPAC Namecalcium;hydron;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[H+].[H+]
InChIInChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p+2
InChIKeyFUFJGUQYACFECW-UHFFFAOYSA-P
XLogP-1.08
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dicalcium;hydron;phosphoric acid
CID 173008469
calcium;hydride;hydron;phosphoric acid
CID 175552956
aluminum;hydron;phosphoric acid
CID 173045384
molybdenum;phosphoric acid;zirconium
CID 173324853
undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;phosphoric acid;hydrate
CID 170923527
dipotassium;hydron;phosphoric acid
CID 173015576
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;hydride;phosphoric acid;selane
CID 174689196
calcium;azane;hydride;phosphoric acid
CID 174906772

Frequently Asked Questions

What is the IUPAC name of calcium;hydron;phosphoric acid?
The IUPAC name of calcium;hydron;phosphoric acid (CID 172996897) is calcium;hydron;phosphoric acid.
What is the SMILES notation for calcium;hydron;phosphoric acid?
The canonical SMILES for calcium;hydron;phosphoric acid is O=P(O)(O)O.[Ca+2].[H+].[H+].
What is the InChIKey of calcium;hydron;phosphoric acid?
The InChIKey is FUFJGUQYACFECW-UHFFFAOYSA-P. The full InChI is InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p+2.
What are the key properties of calcium;hydron;phosphoric acid?
calcium;hydron;phosphoric acid has a molecular weight of 140.09 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydron;phosphoric acid is sourced from PubChem (CID 172996897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).