magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate

C12H40MgMo2N2O29-10 — CID 139065176

About magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate

magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate (PubChem CID 139065176) has the molecular formula C12H40MgMo2N2O29-10 and a molecular weight of 892.62 g/mol. Its IUPAC name is magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate.

Molecular Properties

• Compound Name: magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate
• PubChem CID: 139065176
• Molecular Formula: C12H40MgMo2N2O29-10
• Molecular Weight: 892.62 g/mol
• Exact Mass: 895.97
• IUPAC Name: magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate
• SMILES: O.O.O.O.O.O.O.O.O.O.O=C([O-])CN(CC(=O)[O-])CC(=O)O.O=C([O-])CN(CC(=O)[O-])CC(=O)O.[Mg+2].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[OH3+].[OH3+]
• InChI: InChI=1S/2C6H9NO6.Mg.2Mo.12H2O.5O/c2*8-4(9)1-7(2-5(10)11)3-6(12)13;;;;;;;;;;;;;;;;;;;;/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;12*1H2;;;;;/q;;+2;;;;;;;;;;;;;;;5*-2/p-2
• InChIKey: VWCAGXSCCIOYGR-UHFFFAOYSA-L
• XLogP: -19.33
• TPSA: 765.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.62
LogP ≤ 5	-19.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate?

The IUPAC name of magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate (CID 139065176) is magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate.

What is the SMILES notation for magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate?

The canonical SMILES for magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate is O.O.O.O.O.O.O.O.O.O.O=C([O-])CN(CC(=O)[O-])CC(=O)O.O=C([O-])CN(CC(=O)[O-])CC(=O)O.[Mg+2].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[OH3+].[OH3+].

What is the InChIKey of magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate?

The InChIKey is VWCAGXSCCIOYGR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H9NO6.Mg.2Mo.12H2O.5O/c2*8-4(9)1-7(2-5(10)11)3-6(12)13;;;;;;;;;;;;;;;;;;;;/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;12*1H2;;;;;/q;;+2;;;;;;;;;;;;;;;5*-2/p-2.

What are the key properties of magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate?

magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate has a molecular weight of 892.62 g/mol, XLogP of -19.33, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate is sourced from PubChem (CID 139065176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).