trimagnesium;diphosphate;pentahydrate

H10Mg3O13P2 — CID 23724945

IUPACtrimagnesium;diphosphate;pentahydrate
SMILESO.O.O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/3Mg.2H3O4P.5H2O/c;;;2*1-5(2,3)4;;;;;/h;;;2*(H3,1,2,3,4);5*1H2/q3*+2;;;;;;;/p-6
InChIKeyQZYXGKYJDBUYES-UHFFFAOYSA-H
MW352.93 g/mol
LogP-10.92
Rot. Bonds

About trimagnesium;diphosphate;pentahydrate

trimagnesium;diphosphate;pentahydrate (PubChem CID 23724945) has the molecular formula H10Mg3O13P2 and a molecular weight of 352.93 g/mol. Its IUPAC name is trimagnesium;diphosphate;pentahydrate.

Molecular Properties

Compound Nametrimagnesium;diphosphate;pentahydrate
PubChem CID23724945
Molecular FormulaH10Mg3O13P2
Molecular Weight352.93 g/mol
Exact Mass351.91
IUPAC Nametrimagnesium;diphosphate;pentahydrate
SMILESO.O.O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/3Mg.2H3O4P.5H2O/c;;;2*1-5(2,3)4;;;;;/h;;;2*(H3,1,2,3,4);5*1H2/q3*+2;;;;;;;/p-6
InChIKeyQZYXGKYJDBUYES-UHFFFAOYSA-H
XLogP-10.92
TPSA330.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 5-10.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimagnesium;diphosphate;pentahydrate?
The IUPAC name of trimagnesium;diphosphate;pentahydrate (CID 23724945) is trimagnesium;diphosphate;pentahydrate.
What is the SMILES notation for trimagnesium;diphosphate;pentahydrate?
The canonical SMILES for trimagnesium;diphosphate;pentahydrate is O.O.O.O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;diphosphate;pentahydrate?
The InChIKey is QZYXGKYJDBUYES-UHFFFAOYSA-H. The full InChI is InChI=1S/3Mg.2H3O4P.5H2O/c;;;2*1-5(2,3)4;;;;;/h;;;2*(H3,1,2,3,4);5*1H2/q3*+2;;;;;;;/p-6.
What are the key properties of trimagnesium;diphosphate;pentahydrate?
trimagnesium;diphosphate;pentahydrate has a molecular weight of 352.93 g/mol, XLogP of -10.92, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;diphosphate;pentahydrate is sourced from PubChem (CID 23724945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).