trimagnesium;guanidine;diphosphate

CH5Mg3N3O8P2 — CID 161111260

IUPACtrimagnesium;guanidine;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[H]N=C(N)N.[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/CH5N3.3Mg.2H3O4P/c2-1(3)4;;;;2*1-5(2,3)4/h(H5,2,3,4);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6
InChIKeyUJSKMDMMQHFQGL-UHFFFAOYSA-H
MW321.93 g/mol
LogP-7.95
Rot. Bonds

About trimagnesium;guanidine;diphosphate

trimagnesium;guanidine;diphosphate (PubChem CID 161111260) has the molecular formula CH5Mg3N3O8P2 and a molecular weight of 321.93 g/mol. Its IUPAC name is trimagnesium;guanidine;diphosphate.

Molecular Properties

Compound Nametrimagnesium;guanidine;diphosphate
PubChem CID161111260
Molecular FormulaCH5Mg3N3O8P2
Molecular Weight321.93 g/mol
Exact Mass320.91
IUPAC Nametrimagnesium;guanidine;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[H]N=C(N)N.[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/CH5N3.3Mg.2H3O4P/c2-1(3)4;;;;2*1-5(2,3)4/h(H5,2,3,4);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6
InChIKeyUJSKMDMMQHFQGL-UHFFFAOYSA-H
XLogP-7.95
TPSA248.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 5-7.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trimagnesium;guanidine;diphosphate?
The IUPAC name of trimagnesium;guanidine;diphosphate (CID 161111260) is trimagnesium;guanidine;diphosphate.
What is the SMILES notation for trimagnesium;guanidine;diphosphate?
The canonical SMILES for trimagnesium;guanidine;diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[H]N=C(N)N.[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;guanidine;diphosphate?
The InChIKey is UJSKMDMMQHFQGL-UHFFFAOYSA-H. The full InChI is InChI=1S/CH5N3.3Mg.2H3O4P/c2-1(3)4;;;;2*1-5(2,3)4/h(H5,2,3,4);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6.
What are the key properties of trimagnesium;guanidine;diphosphate?
trimagnesium;guanidine;diphosphate has a molecular weight of 321.93 g/mol, XLogP of -7.95, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;guanidine;diphosphate is sourced from PubChem (CID 161111260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).