2-aminoethanol;hydrogen phosphate;iron(2+)

C2H8FeNO5P — CID 87771609

IUPAC2-aminoethanol;hydrogen phosphate;iron(2+)
SMILESNCCO.O=P([O-])([O-])O.[Fe+2]
InChIInChI=1S/C2H7NO.Fe.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+2;/p-2
InChIKeyUEPUGNXOGRNEQP-UHFFFAOYSA-L
MW212.91 g/mol
LogP-3.26
Rot. Bonds1

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

2-aminoethanol;hydrogen phosphate;iron(2+) (PubChem CID 87771609) has the molecular formula C2H8FeNO5P and a molecular weight of 212.91 g/mol. Its IUPAC name is 2-aminoethanol;hydrogen phosphate;iron(2+).

Molecular Properties

Compound Name2-aminoethanol;hydrogen phosphate;iron(2+)
PubChem CID87771609
Molecular FormulaC2H8FeNO5P
Molecular Weight212.91 g/mol
Exact Mass212.95
IUPAC Name2-aminoethanol;hydrogen phosphate;iron(2+)
SMILESNCCO.O=P([O-])([O-])O.[Fe+2]
InChIInChI=1S/C2H7NO.Fe.H3O4P/c3-1-2-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q;+2;/p-2
InChIKeyUEPUGNXOGRNEQP-UHFFFAOYSA-L
XLogP-3.26
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.91
LogP ≤ 5-3.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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CID 87771610
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CID 175317536
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CID 174583262
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439
2-aminoethanol;phosphoric acid;zinc
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2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 159229127
2-aminoethanol
CID 87375731
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CID 159566068
bis(chromium(3+));hydrogen phosphate
CID 19708255
hafnium;hydrogen phosphate
CID 160536753
sodium 2-aminoethanol
CID 18941740

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;hydrogen phosphate;iron(2+)?
The IUPAC name of 2-aminoethanol;hydrogen phosphate;iron(2+) (CID 87771609) is 2-aminoethanol;hydrogen phosphate;iron(2+).
What is the SMILES notation for 2-aminoethanol;hydrogen phosphate;iron(2+)?
The canonical SMILES for 2-aminoethanol;hydrogen phosphate;iron(2+) is NCCO.O=P([O-])([O-])O.[Fe+2].
What is the InChIKey of 2-aminoethanol;hydrogen phosphate;iron(2+)?
The InChIKey is UEPUGNXOGRNEQP-UHFFFAOYSA-L. 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;+2;/p-2.
What are the key properties of 2-aminoethanol;hydrogen phosphate;iron(2+)?
2-aminoethanol;hydrogen phosphate;iron(2+) has a molecular weight of 212.91 g/mol, XLogP of -3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;hydrogen phosphate;iron(2+) is sourced from PubChem (CID 87771609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).