dicalcium;potassium;hydride;phosphoric acid;hydrochloride

H9Ca2ClKO4P — CID 174488333

IUPACdicalcium;potassium;hydride;phosphoric acid;hydrochloride
SMILESCl.O=P(O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[K+]
InChIInChI=1S/2Ca.ClH.K.H3O4P.5H/c;;;;1-5(2,3)4;;;;;/h;;1H;;(H3,1,2,3,4);;;;;/q2*+2;;+1;;5*-1
InChIKeyGARANCTVWZLJAI-UHFFFAOYSA-N
MW258.75 g/mol
LogP-3.70
Rot. Bonds

About dicalcium;potassium;hydride;phosphoric acid;hydrochloride

dicalcium;potassium;hydride;phosphoric acid;hydrochloride (PubChem CID 174488333) has the molecular formula H9Ca2ClKO4P and a molecular weight of 258.75 g/mol. Its IUPAC name is dicalcium;potassium;hydride;phosphoric acid;hydrochloride.

Molecular Properties

Compound Namedicalcium;potassium;hydride;phosphoric acid;hydrochloride
PubChem CID174488333
Molecular FormulaH9Ca2ClKO4P
Molecular Weight258.75 g/mol
Exact Mass257.88
IUPAC Namedicalcium;potassium;hydride;phosphoric acid;hydrochloride
SMILESCl.O=P(O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[K+]
InChIInChI=1S/2Ca.ClH.K.H3O4P.5H/c;;;;1-5(2,3)4;;;;;/h;;1H;;(H3,1,2,3,4);;;;;/q2*+2;;+1;;5*-1
InChIKeyGARANCTVWZLJAI-UHFFFAOYSA-N
XLogP-3.70
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 5-3.70
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

potassium;hydride;phosphoric acid;dihydrate;hydrochloride
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calcium;hydride;phosphoric acid;hydrate;hydrochloride
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dipotassium;hydride;phosphoric acid
CID 174834732
undecacalcium;hydride;phosphoric acid
CID 173326872
potassium;hydride;phosphoric acid
CID 173080125
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
dipotassium;hydride;methane;phosphoric acid
CID 173423611
calcium;hydride;hydron;phosphoric acid
CID 175552956
potassium;hydride;phosphoric acid;hydrate
CID 172999023
potassium;hydride;phosphoric acid;dihydrofluoride
CID 175199882
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677

Frequently Asked Questions

What is the IUPAC name of dicalcium;potassium;hydride;phosphoric acid;hydrochloride?
The IUPAC name of dicalcium;potassium;hydride;phosphoric acid;hydrochloride (CID 174488333) is dicalcium;potassium;hydride;phosphoric acid;hydrochloride.
What is the SMILES notation for dicalcium;potassium;hydride;phosphoric acid;hydrochloride?
The canonical SMILES for dicalcium;potassium;hydride;phosphoric acid;hydrochloride is Cl.O=P(O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[K+].
What is the InChIKey of dicalcium;potassium;hydride;phosphoric acid;hydrochloride?
The InChIKey is GARANCTVWZLJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.ClH.K.H3O4P.5H/c;;;;1-5(2,3)4;;;;;/h;;1H;;(H3,1,2,3,4);;;;;/q2*+2;;+1;;5*-1.
What are the key properties of dicalcium;potassium;hydride;phosphoric acid;hydrochloride?
dicalcium;potassium;hydride;phosphoric acid;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of -3.70, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;potassium;hydride;phosphoric acid;hydrochloride is sourced from PubChem (CID 174488333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).