iron;phosphoric acid;propane-1,2,3-triol

C3H11FeO7P — CID 160506049

IUPACiron;phosphoric acid;propane-1,2,3-triol
SMILESO=P(O)(O)O.OCC(O)CO.[Fe]
InChIInChI=1S/C3H8O3.Fe.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,4)
InChIKeyYNGOBAUUUIEYCD-UHFFFAOYSA-N
MW245.93 g/mol
LogP-2.60
Rot. Bonds2

About iron;phosphoric acid;propane-1,2,3-triol

iron;phosphoric acid;propane-1,2,3-triol (PubChem CID 160506049) has the molecular formula C3H11FeO7P and a molecular weight of 245.93 g/mol. Its IUPAC name is iron;phosphoric acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameiron;phosphoric acid;propane-1,2,3-triol
PubChem CID160506049
Molecular FormulaC3H11FeO7P
Molecular Weight245.93 g/mol
Exact Mass245.96
IUPAC Nameiron;phosphoric acid;propane-1,2,3-triol
SMILESO=P(O)(O)O.OCC(O)CO.[Fe]
InChIInChI=1S/C3H8O3.Fe.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,4)
InChIKeyYNGOBAUUUIEYCD-UHFFFAOYSA-N
XLogP-2.60
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.93
LogP ≤ 5-2.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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 87153916
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
phosphoric acid;2,4,5-trihydroxypentanoic acid
CID 175386641
tris(dipropylphosphinic acid);propane-1,2,3-triol
CID 173171073
tris(N-cyclohexylcyclohexanamine);phosphoric acid;propane-1,2,3-triol
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CID 159793120

Frequently Asked Questions

What is the IUPAC name of iron;phosphoric acid;propane-1,2,3-triol?
The IUPAC name of iron;phosphoric acid;propane-1,2,3-triol (CID 160506049) is iron;phosphoric acid;propane-1,2,3-triol.
What is the SMILES notation for iron;phosphoric acid;propane-1,2,3-triol?
The canonical SMILES for iron;phosphoric acid;propane-1,2,3-triol is O=P(O)(O)O.OCC(O)CO.[Fe].
What is the InChIKey of iron;phosphoric acid;propane-1,2,3-triol?
The InChIKey is YNGOBAUUUIEYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.Fe.H3O4P/c4-1-3(6)2-5;;1-5(2,3)4/h3-6H,1-2H2;;(H3,1,2,3,4).
What are the key properties of iron;phosphoric acid;propane-1,2,3-triol?
iron;phosphoric acid;propane-1,2,3-triol has a molecular weight of 245.93 g/mol, XLogP of -2.60, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;phosphoric acid;propane-1,2,3-triol is sourced from PubChem (CID 160506049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).