calcium;magnesium;hydride;phosphonooxyboronic acid

H8BCaMgO6P — CID 174726603

IUPACcalcium;magnesium;hydride;phosphonooxyboronic acid
SMILESO=P(O)(O)OB(O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/BH4O6P.Ca.Mg.4H/c2-1(3)7-8(4,5)6;;;;;;/h2-3H,(H2,4,5,6);;;;;;/q;2*+2;4*-1
InChIKeyVORBGQYVPUQNSW-UHFFFAOYSA-N
MW210.23 g/mol
LogP-2.25
Rot. Bonds2

About calcium;magnesium;hydride;phosphonooxyboronic acid

calcium;magnesium;hydride;phosphonooxyboronic acid (PubChem CID 174726603) has the molecular formula H8BCaMgO6P and a molecular weight of 210.23 g/mol. Its IUPAC name is calcium;magnesium;hydride;phosphonooxyboronic acid.

Molecular Properties

Compound Namecalcium;magnesium;hydride;phosphonooxyboronic acid
PubChem CID174726603
Molecular FormulaH8BCaMgO6P
Molecular Weight210.23 g/mol
Exact Mass209.96
IUPAC Namecalcium;magnesium;hydride;phosphonooxyboronic acid
SMILESO=P(O)(O)OB(O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/BH4O6P.Ca.Mg.4H/c2-1(3)7-8(4,5)6;;;;;;/h2-3H,(H2,4,5,6);;;;;;/q;2*+2;4*-1
InChIKeyVORBGQYVPUQNSW-UHFFFAOYSA-N
XLogP-2.25
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
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;hydride;hydroxy dihydrogen phosphate
CID 174606919
calcium;magnesium;boric acid;hydride;phosphoric acid
CID 174726607
CID 174829679
CID 174829679
calcium;magnesium;fluoro dihydrogen phosphate;hydride
CID 174988719
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
methoxy(phosphonooxy)borinic acid
CID 87535346
dipotassium;borono phosphate
CID 139258522
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302
magnesium;copper;hydride;phosphono dihydrogen phosphate
CID 174923611
trimagnesium;dipotassium;hydride;phosphono dihydrogen phosphate
CID 174478258
calcium;fluoro dihydrogen phosphate;hydride
CID 174626748

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;phosphonooxyboronic acid?
The IUPAC name of calcium;magnesium;hydride;phosphonooxyboronic acid (CID 174726603) is calcium;magnesium;hydride;phosphonooxyboronic acid.
What is the SMILES notation for calcium;magnesium;hydride;phosphonooxyboronic acid?
The canonical SMILES for calcium;magnesium;hydride;phosphonooxyboronic acid is O=P(O)(O)OB(O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;phosphonooxyboronic acid?
The InChIKey is VORBGQYVPUQNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/BH4O6P.Ca.Mg.4H/c2-1(3)7-8(4,5)6;;;;;;/h2-3H,(H2,4,5,6);;;;;;/q;2*+2;4*-1.
What are the key properties of calcium;magnesium;hydride;phosphonooxyboronic acid?
calcium;magnesium;hydride;phosphonooxyboronic acid has a molecular weight of 210.23 g/mol, XLogP of -2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;phosphonooxyboronic acid is sourced from PubChem (CID 174726603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).