dimagnesium;hydride;phosphoric acid;dodecahydrate

H40Mg2O28P4 — CID 173372641

IUPACdimagnesium;hydride;phosphoric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2Mg.4H3O4P.12H2O.4H/c;;4*1-5(2,3)4;;;;;;;;;;;;;;;;/h;;4*(H3,1,2,3,4);12*1H2;;;;/q2*+2;;;;;;;;;;;;;;;;;4*-1
InChIKeyRYTOPXYVFIWXPO-UHFFFAOYSA-N
MW660.80 g/mol
LogP-13.92
Rot. Bonds

About dimagnesium;hydride;phosphoric acid;dodecahydrate

dimagnesium;hydride;phosphoric acid;dodecahydrate (PubChem CID 173372641) has the molecular formula H40Mg2O28P4 and a molecular weight of 660.80 g/mol. Its IUPAC name is dimagnesium;hydride;phosphoric acid;dodecahydrate.

Molecular Properties

Compound Namedimagnesium;hydride;phosphoric acid;dodecahydrate
PubChem CID173372641
Molecular FormulaH40Mg2O28P4
Molecular Weight660.80 g/mol
Exact Mass660.04
IUPAC Namedimagnesium;hydride;phosphoric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2Mg.4H3O4P.12H2O.4H/c;;4*1-5(2,3)4;;;;;;;;;;;;;;;;/h;;4*(H3,1,2,3,4);12*1H2;;;;/q2*+2;;;;;;;;;;;;;;;;;4*-1
InChIKeyRYTOPXYVFIWXPO-UHFFFAOYSA-N
XLogP-13.92
TPSA689.04 Ų
H-Bond Donors12
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.80
LogP ≤ 5-13.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium;azane;hydride;phosphoric acid;pentahydrate
CID 173411626
magnesium;alumane;hydride;phosphoric acid;hydrate
CID 173369336
magnesium;hydride;phosphoric acid
CID 172995395
magnesium;hydride;phosphoric acid
CID 173011146
potassium;hydride;phosphoric acid;hydrate
CID 172999023
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
trimagnesium;hydride;phosphoric acid;zinc
CID 173288427
magnesium;hydride;methane;phosphoric acid
CID 173272827
tetrasodium;hydride;phosphoric acid;decahydrate
CID 173083849
phosphoric acid;trihydrate
CID 18988970
phosphoric acid;hydrate
CID 22023151
phosphoric acid;hexahydrate
CID 158346288

Frequently Asked Questions

What is the IUPAC name of dimagnesium;hydride;phosphoric acid;dodecahydrate?
The IUPAC name of dimagnesium;hydride;phosphoric acid;dodecahydrate (CID 173372641) is dimagnesium;hydride;phosphoric acid;dodecahydrate.
What is the SMILES notation for dimagnesium;hydride;phosphoric acid;dodecahydrate?
The canonical SMILES for dimagnesium;hydride;phosphoric acid;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;hydride;phosphoric acid;dodecahydrate?
The InChIKey is RYTOPXYVFIWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2Mg.4H3O4P.12H2O.4H/c;;4*1-5(2,3)4;;;;;;;;;;;;;;;;/h;;4*(H3,1,2,3,4);12*1H2;;;;/q2*+2;;;;;;;;;;;;;;;;;4*-1.
What are the key properties of dimagnesium;hydride;phosphoric acid;dodecahydrate?
dimagnesium;hydride;phosphoric acid;dodecahydrate has a molecular weight of 660.80 g/mol, XLogP of -13.92, 0 rotatable bonds, 12 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;hydride;phosphoric acid;dodecahydrate is sourced from PubChem (CID 173372641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).