2-aminoethanol;iron(3+);phosphate

C2H7FeNO5P — CID 87771610

IUPAC2-aminoethanol;iron(3+);phosphate
SMILESNCCO.O=P([O-])([O-])[O-].[Fe+3]
InChIInChI=1S/C2H7NO.Fe.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyPWDSDSDPEDHLDG-UHFFFAOYSA-K
MW211.90 g/mol
LogP-3.89
Rot. Bonds1

About 2-aminoethanol;iron(3+);phosphate

2-aminoethanol;iron(3+);phosphate (PubChem CID 87771610) has the molecular formula C2H7FeNO5P and a molecular weight of 211.90 g/mol. Its IUPAC name is 2-aminoethanol;iron(3+);phosphate.

Molecular Properties

Compound Name2-aminoethanol;iron(3+);phosphate
PubChem CID87771610
Molecular FormulaC2H7FeNO5P
Molecular Weight211.90 g/mol
Exact Mass211.94
IUPAC Name2-aminoethanol;iron(3+);phosphate
SMILESNCCO.O=P([O-])([O-])[O-].[Fe+3]
InChIInChI=1S/C2H7NO.Fe.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyPWDSDSDPEDHLDG-UHFFFAOYSA-K
XLogP-3.89
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.90
LogP ≤ 5-3.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanol;hydrogen phosphate;iron(2+)
CID 87771609
2-aminoethanol;phosphane;phosphoric acid
CID 174583262
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439
2-aminoethanol;phosphoric acid;zinc
CID 126749483
tris(2-hydroxyethylphosphanium);phosphate
CID 159553756
tripotassium;tris(ethane-1,2-diol);phosphate
CID 19811130
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 159229127
2-aminoethanol
CID 87375731
ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
trimagnesium;trizinc;ethane-1,2-diamine;tetraphosphate
CID 173274669
2-aminoethanol;butane-1,4-diol
CID 135347340

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;iron(3+);phosphate?
The IUPAC name of 2-aminoethanol;iron(3+);phosphate (CID 87771610) is 2-aminoethanol;iron(3+);phosphate.
What is the SMILES notation for 2-aminoethanol;iron(3+);phosphate?
The canonical SMILES for 2-aminoethanol;iron(3+);phosphate is NCCO.O=P([O-])([O-])[O-].[Fe+3].
What is the InChIKey of 2-aminoethanol;iron(3+);phosphate?
The InChIKey is PWDSDSDPEDHLDG-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H7NO.Fe.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of 2-aminoethanol;iron(3+);phosphate?
2-aminoethanol;iron(3+);phosphate has a molecular weight of 211.90 g/mol, XLogP of -3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;iron(3+);phosphate is sourced from PubChem (CID 87771610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).