Iodanium 2-hydroxypropanoate

C₃H₇IO₃ — CID 158316585

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 Name: Iodanium 2-hydroxypropanoate
• PubChem CID: 158316585
• Molecular Formula: C₃H₇IO₃
• Molecular Weight: 217.99 g/mol
• Exact Mass: 217.94
• IUPAC Name: iodanium 2-hydroxypropanoate
• SMILES: CC(O)C(=O)[O-].[IH2+]
• InChI: InChI=1S/C3H6O3.H2I/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H2/q;+1/p-1
• InChIKey: GOIGJYUUVGCJNH-UHFFFAOYSA-M
• XLogP: -5.41
• TPSA: 60.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.99
LogP ≤ 5	-5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 158316585 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.