calcium;hydride;phosphoric acid;hydrate;hydrochloride

H8CaClO5P — CID 174378394

IUPACcalcium;hydride;phosphoric acid;hydrate;hydrochloride
SMILESCl.O.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.ClH.H3O4P.H2O.2H/c;;1-5(2,3)4;;;/h;1H;(H3,1,2,3,4);1H2;;/q+2;;;;2*-1
InChIKeyOZKWKPOJUSJGPX-UHFFFAOYSA-N
MW194.56 g/mol
LogP-1.49
Rot. Bonds

About calcium;hydride;phosphoric acid;hydrate;hydrochloride

calcium;hydride;phosphoric acid;hydrate;hydrochloride (PubChem CID 174378394) has the molecular formula H8CaClO5P and a molecular weight of 194.56 g/mol. Its IUPAC name is calcium;hydride;phosphoric acid;hydrate;hydrochloride.

Molecular Properties

Compound Namecalcium;hydride;phosphoric acid;hydrate;hydrochloride
PubChem CID174378394
Molecular FormulaH8CaClO5P
Molecular Weight194.56 g/mol
Exact Mass193.94
IUPAC Namecalcium;hydride;phosphoric acid;hydrate;hydrochloride
SMILESCl.O.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.ClH.H3O4P.H2O.2H/c;;1-5(2,3)4;;;/h;1H;(H3,1,2,3,4);1H2;;/q+2;;;;2*-1
InChIKeyOZKWKPOJUSJGPX-UHFFFAOYSA-N
XLogP-1.49
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.56
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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;hydride;phosphoric acid;hydrate;hydrochloride?
The IUPAC name of calcium;hydride;phosphoric acid;hydrate;hydrochloride (CID 174378394) is calcium;hydride;phosphoric acid;hydrate;hydrochloride.
What is the SMILES notation for calcium;hydride;phosphoric acid;hydrate;hydrochloride?
The canonical SMILES for calcium;hydride;phosphoric acid;hydrate;hydrochloride is Cl.O.O=P(O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;phosphoric acid;hydrate;hydrochloride?
The InChIKey is OZKWKPOJUSJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.ClH.H3O4P.H2O.2H/c;;1-5(2,3)4;;;/h;1H;(H3,1,2,3,4);1H2;;/q+2;;;;2*-1.
What are the key properties of calcium;hydride;phosphoric acid;hydrate;hydrochloride?
calcium;hydride;phosphoric acid;hydrate;hydrochloride has a molecular weight of 194.56 g/mol, XLogP of -1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;phosphoric acid;hydrate;hydrochloride is sourced from PubChem (CID 174378394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).