calcium;magnesium;boric acid;hydride;phosphoric acid

H10BCaMgO7P — CID 174726607

IUPACcalcium;magnesium;boric acid;hydride;phosphoric acid
SMILESO=P(O)(O)O.OB(O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/BH3O3.Ca.Mg.H3O4P.4H/c2-1(3)4;;;1-5(2,3)4;;;;/h2-4H;;;(H3,1,2,3,4);;;;/q;2*+2;;4*-1
InChIKeyIUTUKSSJLFNSAO-UHFFFAOYSA-N
MW228.24 g/mol
LogP-3.29
Rot. Bonds

About calcium;magnesium;boric acid;hydride;phosphoric acid

calcium;magnesium;boric acid;hydride;phosphoric acid (PubChem CID 174726607) has the molecular formula H10BCaMgO7P and a molecular weight of 228.24 g/mol. Its IUPAC name is calcium;magnesium;boric acid;hydride;phosphoric acid.

Molecular Properties

Compound Namecalcium;magnesium;boric acid;hydride;phosphoric acid
PubChem CID174726607
Molecular FormulaH10BCaMgO7P
Molecular Weight228.24 g/mol
Exact Mass227.97
IUPAC Namecalcium;magnesium;boric acid;hydride;phosphoric acid
SMILESO=P(O)(O)O.OB(O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/BH3O3.Ca.Mg.H3O4P.4H/c2-1(3)4;;;1-5(2,3)4;;;;/h2-4H;;;(H3,1,2,3,4);;;;/q;2*+2;;4*-1
InChIKeyIUTUKSSJLFNSAO-UHFFFAOYSA-N
XLogP-3.29
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.24
LogP ≤ 5-3.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
boric acid;phosphoric acid;hydrate
CID 172863992
undecacalcium;hydride;phosphoric acid
CID 173326872
magnesium;hydride;phosphoric acid
CID 172995395
magnesium;hydride;phosphoric acid
CID 173011146
calcium;azane;hydride;phosphoric acid
CID 174906772
magnesium;hydride;methane;phosphoric acid
CID 173272827
calcium;hydride;hydron;phosphoric acid
CID 175552956
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;hydride;phosphoric acid;selane
CID 174689196
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
trimagnesium;hydride;phosphoric acid;zinc
CID 173288427

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;boric acid;hydride;phosphoric acid?
The IUPAC name of calcium;magnesium;boric acid;hydride;phosphoric acid (CID 174726607) is calcium;magnesium;boric acid;hydride;phosphoric acid.
What is the SMILES notation for calcium;magnesium;boric acid;hydride;phosphoric acid?
The canonical SMILES for calcium;magnesium;boric acid;hydride;phosphoric acid is O=P(O)(O)O.OB(O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;boric acid;hydride;phosphoric acid?
The InChIKey is IUTUKSSJLFNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.Ca.Mg.H3O4P.4H/c2-1(3)4;;;1-5(2,3)4;;;;/h2-4H;;;(H3,1,2,3,4);;;;/q;2*+2;;4*-1.
What are the key properties of calcium;magnesium;boric acid;hydride;phosphoric acid?
calcium;magnesium;boric acid;hydride;phosphoric acid has a molecular weight of 228.24 g/mol, XLogP of -3.29, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;boric acid;hydride;phosphoric acid is sourced from PubChem (CID 174726607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).