calcium;potassium;phosphate;hydrate

H2CaKO5P — CID 142707779

IUPACcalcium;potassium;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Ca+2].[K+]
InChIInChI=1S/Ca.K.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q+2;+1;;/p-3
InChIKeyLPMXRFOBRCBVOK-UHFFFAOYSA-K
MW192.16 g/mol
LogP-7.03
Rot. Bonds

About calcium;potassium;phosphate;hydrate

calcium;potassium;phosphate;hydrate (PubChem CID 142707779) has the molecular formula H2CaKO5P and a molecular weight of 192.16 g/mol. Its IUPAC name is calcium;potassium;phosphate;hydrate.

Molecular Properties

Compound Namecalcium;potassium;phosphate;hydrate
PubChem CID142707779
Molecular FormulaH2CaKO5P
Molecular Weight192.16 g/mol
Exact Mass191.89
IUPAC Namecalcium;potassium;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Ca+2].[K+]
InChIInChI=1S/Ca.K.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q+2;+1;;/p-3
InChIKeyLPMXRFOBRCBVOK-UHFFFAOYSA-K
XLogP-7.03
TPSA117.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-7.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;potassium;phosphate;hydrate?
The IUPAC name of calcium;potassium;phosphate;hydrate (CID 142707779) is calcium;potassium;phosphate;hydrate.
What is the SMILES notation for calcium;potassium;phosphate;hydrate?
The canonical SMILES for calcium;potassium;phosphate;hydrate is O.O=P([O-])([O-])[O-].[Ca+2].[K+].
What is the InChIKey of calcium;potassium;phosphate;hydrate?
The InChIKey is LPMXRFOBRCBVOK-UHFFFAOYSA-K. The full InChI is InChI=1S/Ca.K.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q+2;+1;;/p-3.
What are the key properties of calcium;potassium;phosphate;hydrate?
calcium;potassium;phosphate;hydrate has a molecular weight of 192.16 g/mol, XLogP of -7.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;phosphate;hydrate is sourced from PubChem (CID 142707779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).