iodanium 2-hydroxypropanoate

C3H7IO3 — CID 158316585

IUPACiodanium 2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].[IH2+]
InChIInChI=1S/C3H6O3.H2I/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H2/q;+1/p-1
InChIKeyGOIGJYUUVGCJNH-UHFFFAOYSA-M
MW217.99 g/mol
LogP-5.41
Rot. Bonds1

About iodanium 2-hydroxypropanoate

iodanium 2-hydroxypropanoate (PubChem CID 158316585) has the molecular formula C3H7IO3 and a molecular weight of 217.99 g/mol. Its IUPAC name is iodanium 2-hydroxypropanoate.

Molecular Properties

Compound Nameiodanium 2-hydroxypropanoate
PubChem CID158316585
Molecular FormulaC3H7IO3
Molecular Weight217.99 g/mol
Exact Mass217.94
IUPAC Nameiodanium 2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].[IH2+]
InChIInChI=1S/C3H6O3.H2I/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H2/q;+1/p-1
InChIKeyGOIGJYUUVGCJNH-UHFFFAOYSA-M
XLogP-5.41
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.99
LogP ≤ 5-5.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper bis(2-hydroxypropanoate)
CID 13145
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
silver (2R)-2-hydroxypropanoate
CID 14178856
potassium 2-hydroxypropanoate
CID 23671663
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
sodium;pentakis(2-hydroxypropanoate);thorium(4+)
CID 159864305

Frequently Asked Questions

What is the IUPAC name of iodanium 2-hydroxypropanoate?
The IUPAC name of iodanium 2-hydroxypropanoate (CID 158316585) is iodanium 2-hydroxypropanoate.
What is the SMILES notation for iodanium 2-hydroxypropanoate?
The canonical SMILES for iodanium 2-hydroxypropanoate is CC(O)C(=O)[O-].[IH2+].
What is the InChIKey of iodanium 2-hydroxypropanoate?
The InChIKey is GOIGJYUUVGCJNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3.H2I/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H2/q;+1/p-1.
What are the key properties of iodanium 2-hydroxypropanoate?
iodanium 2-hydroxypropanoate has a molecular weight of 217.99 g/mol, XLogP of -5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium 2-hydroxypropanoate is sourced from PubChem (CID 158316585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).