trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate

C2H8Mg3N2O16P4Zn3 — CID 173274669

IUPACtrimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate
SMILESNCCN.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C2H8N2.3Mg.4H3O4P.3Zn/c3-1-2-4;;;;4*1-5(2,3)4;;;/h1-4H2;;;;4*(H3,1,2,3,4);;;/q;3*+2;;;;;3*+2/p-12
InChIKeyKFJQUAMENJNCHH-UHFFFAOYSA-B
MW709.07 g/mol
LogP-13.54
Rot. Bonds1

About trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate

trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate (PubChem CID 173274669) has the molecular formula C2H8Mg3N2O16P4Zn3 and a molecular weight of 709.07 g/mol. Its IUPAC name is trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate.

Molecular Properties

Compound Nametrimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate
PubChem CID173274669
Molecular FormulaC2H8Mg3N2O16P4Zn3
Molecular Weight709.07 g/mol
Exact Mass703.62
IUPAC Nametrimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate
SMILESNCCN.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C2H8N2.3Mg.4H3O4P.3Zn/c3-1-2-4;;;;4*1-5(2,3)4;;;/h1-4H2;;;;4*(H3,1,2,3,4);;;/q;3*+2;;;;;3*+2/p-12
InChIKeyKFJQUAMENJNCHH-UHFFFAOYSA-B
XLogP-13.54
TPSA397.04 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.07
LogP ≤ 5-13.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

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2-aminoethanol;iron(3+);phosphate
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pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
trimagnesium;guanidine;diphosphate
CID 161111260
zinc;indium(3+);phosphate
CID 159690150
zinc;hydron;diphosphate
CID 20841752
magnesium;potassium;phosphate
CID 14367919
dimagnesium;hydroxide;phosphate
CID 157147932
zinc;niobium(5+);phosphate
CID 158075455
CID 86747219
CID 86747219
dizinc;vanadium;triphosphate
CID 173037971

Frequently Asked Questions

What is the IUPAC name of trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate?
The IUPAC name of trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate (CID 173274669) is trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate.
What is the SMILES notation for trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate?
The canonical SMILES for trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate is NCCN.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate?
The InChIKey is KFJQUAMENJNCHH-UHFFFAOYSA-B. The full InChI is InChI=1S/C2H8N2.3Mg.4H3O4P.3Zn/c3-1-2-4;;;;4*1-5(2,3)4;;;/h1-4H2;;;;4*(H3,1,2,3,4);;;/q;3*+2;;;;;3*+2/p-12.
What are the key properties of trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate?
trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate has a molecular weight of 709.07 g/mol, XLogP of -13.54, 1 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate is sourced from PubChem (CID 173274669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).