calcium;hydride;hydron;phosphoric acid

H7CaO4P+2 — CID 175552956

IUPACcalcium;hydride;hydron;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[H+].[H+].[H-].[H-]
InChIInChI=1S/Ca.H3O4P.2H/c;1-5(2,3)4;;/h;(H3,1,2,3,4);;/q+2;;2*-1/p+2
InChIKeyKPGIEAWKSKAYFD-UHFFFAOYSA-P
MW142.10 g/mol
LogP-0.86
Rot. Bonds

About calcium;hydride;hydron;phosphoric acid

calcium;hydride;hydron;phosphoric acid (PubChem CID 175552956) has the molecular formula H7CaO4P+2 and a molecular weight of 142.10 g/mol. Its IUPAC name is calcium;hydride;hydron;phosphoric acid.

Molecular Properties

Compound Namecalcium;hydride;hydron;phosphoric acid
PubChem CID175552956
Molecular FormulaH7CaO4P+2
Molecular Weight142.10 g/mol
Exact Mass141.97
IUPAC Namecalcium;hydride;hydron;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[H+].[H+].[H-].[H-]
InChIInChI=1S/Ca.H3O4P.2H/c;1-5(2,3)4;;/h;(H3,1,2,3,4);;/q+2;;2*-1/p+2
InChIKeyKPGIEAWKSKAYFD-UHFFFAOYSA-P
XLogP-0.86
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.10
LogP ≤ 5-0.86
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
undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;hydron;phosphoric acid
CID 172996897
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
calcium;hydride;λ2-plumbane;phosphoric acid
CID 173231245
calcium;hydride;phosphoric acid;hydrate;hydrochloride
CID 174378394
calcium;alumane;hydride;phosphoric acid;hydrate
CID 173289470
dicalcium;potassium;hydride;phosphoric acid;hydrochloride
CID 174488333

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;hydron;phosphoric acid?
The IUPAC name of calcium;hydride;hydron;phosphoric acid (CID 175552956) is calcium;hydride;hydron;phosphoric acid.
What is the SMILES notation for calcium;hydride;hydron;phosphoric acid?
The canonical SMILES for calcium;hydride;hydron;phosphoric acid is O=P(O)(O)O.[Ca+2].[H+].[H+].[H-].[H-].
What is the InChIKey of calcium;hydride;hydron;phosphoric acid?
The InChIKey is KPGIEAWKSKAYFD-UHFFFAOYSA-P. The full InChI is InChI=1S/Ca.H3O4P.2H/c;1-5(2,3)4;;/h;(H3,1,2,3,4);;/q+2;;2*-1/p+2.
What are the key properties of calcium;hydride;hydron;phosphoric acid?
calcium;hydride;hydron;phosphoric acid has a molecular weight of 142.10 g/mol, XLogP of -0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;hydron;phosphoric acid is sourced from PubChem (CID 175552956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).