calcium;hydride;phosphoric acid;selane

H7CaO4PSe — CID 174689196

IUPACcalcium;hydride;phosphoric acid;selane
SMILESO=P(O)(O)O.[Ca+2].[H-].[H-].[SeH2]
InChIInChI=1S/Ca.H3O4P.H2Se.2H/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/q+2;;;2*-1
InChIKeyMVCUDQKMRXLFPJ-UHFFFAOYSA-N
MW221.06 g/mol
LogP-2.00
Rot. Bonds

About calcium;hydride;phosphoric acid;selane

calcium;hydride;phosphoric acid;selane (PubChem CID 174689196) has the molecular formula H7CaO4PSe and a molecular weight of 221.06 g/mol. Its IUPAC name is calcium;hydride;phosphoric acid;selane.

Molecular Properties

Compound Namecalcium;hydride;phosphoric acid;selane
PubChem CID174689196
Molecular FormulaH7CaO4PSe
Molecular Weight221.06 g/mol
Exact Mass221.89
IUPAC Namecalcium;hydride;phosphoric acid;selane
SMILESO=P(O)(O)O.[Ca+2].[H-].[H-].[SeH2]
InChIInChI=1S/Ca.H3O4P.H2Se.2H/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/q+2;;;2*-1
InChIKeyMVCUDQKMRXLFPJ-UHFFFAOYSA-N
XLogP-2.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;hydride;hydron;phosphoric acid
CID 175552956
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
barium(2+);hydride;phosphoric acid;selane
CID 174677056
calcium;azane;hydride;phosphoric acid
CID 174906772
calcium;hydride;λ2-plumbane;phosphoric acid
CID 173231245
calcium;alumane;hydride;phosphoric acid;hydrate
CID 173289470
calcium;hydride;phosphoric acid;hydrate;hydrochloride
CID 174378394
dicalcium;potassium;hydride;phosphoric acid;hydrochloride
CID 174488333
sodium;hydride;phosphoric acid
CID 173151585

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;phosphoric acid;selane?
The IUPAC name of calcium;hydride;phosphoric acid;selane (CID 174689196) is calcium;hydride;phosphoric acid;selane.
What is the SMILES notation for calcium;hydride;phosphoric acid;selane?
The canonical SMILES for calcium;hydride;phosphoric acid;selane is O=P(O)(O)O.[Ca+2].[H-].[H-].[SeH2].
What is the InChIKey of calcium;hydride;phosphoric acid;selane?
The InChIKey is MVCUDQKMRXLFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H3O4P.H2Se.2H/c;1-5(2,3)4;;;/h;(H3,1,2,3,4);1H2;;/q+2;;;2*-1.
What are the key properties of calcium;hydride;phosphoric acid;selane?
calcium;hydride;phosphoric acid;selane has a molecular weight of 221.06 g/mol, XLogP of -2.00, 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;selane is sourced from PubChem (CID 174689196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).