calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)

C10H12CaFeMgN2NaO8Zn+5 — CID 170842778

IUPACcalcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Fe+2].[Mg+2].[Na+].[Zn+2]
InChIInChI=1S/C10H16N2O8.Ca.Fe.Mg.Na.Zn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;/q;3*+2;+1;+2/p-4
InChIKeyFPFRAHUCPXOCKQ-UHFFFAOYSA-J
MW496.82 g/mol
LogP-11.17
Rot. Bonds11

About calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)

calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+) (PubChem CID 170842778) has the molecular formula C10H12CaFeMgN2NaO8Zn+5 and a molecular weight of 496.82 g/mol. Its IUPAC name is calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+).

Molecular Properties

Compound Namecalcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)
PubChem CID170842778
Molecular FormulaC10H12CaFeMgN2NaO8Zn+5
Molecular Weight496.82 g/mol
Exact Mass494.86
IUPAC Namecalcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Fe+2].[Mg+2].[Na+].[Zn+2]
InChIInChI=1S/C10H16N2O8.Ca.Fe.Mg.Na.Zn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;/q;3*+2;+1;+2/p-4
InChIKeyFPFRAHUCPXOCKQ-UHFFFAOYSA-J
XLogP-11.17
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.82
LogP ≤ 5-11.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
tetracalcium bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate)
CID 157417440
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 18401221
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+);trihydrate
CID 71306809
copper;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
CID 178185986
tris(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(gold(3+))
CID 173205311
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;palladium
CID 15436232
triazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 139597842
pentakis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(vanadium)
CID 173065656

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)?
The IUPAC name of calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+) (CID 170842778) is calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+).
What is the SMILES notation for calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)?
The canonical SMILES for calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+) is O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Fe+2].[Mg+2].[Na+].[Zn+2].
What is the InChIKey of calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)?
The InChIKey is FPFRAHUCPXOCKQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C10H16N2O8.Ca.Fe.Mg.Na.Zn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;/q;3*+2;+1;+2/p-4.
What are the key properties of calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+)?
calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+) has a molecular weight of 496.82 g/mol, XLogP of -11.17, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;sodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(2+) is sourced from PubChem (CID 170842778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).