oxidooxyoxidanium

H2O3 — CID 58604412

IUPACoxidooxyoxidanium
SMILES[O-]O[OH2+]
InChIInChI=1S/H2O3/c1-3-2/h1-2H
InChIKeyJSPLKZUTYZBBKA-UHFFFAOYSA-N
MW50.01 g/mol
LogP-2.08
Rot. Bonds

About oxidooxyoxidanium

oxidooxyoxidanium (PubChem CID 58604412) has the molecular formula H2O3 and a molecular weight of 50.01 g/mol. Its IUPAC name is oxidooxyoxidanium.

Molecular Properties

Compound Nameoxidooxyoxidanium
PubChem CID58604412
Molecular FormulaH2O3
Molecular Weight50.01 g/mol
Exact Mass50.00
IUPAC Nameoxidooxyoxidanium
SMILES[O-]O[OH2+]
InChIInChI=1S/H2O3/c1-3-2/h1-2H
InChIKeyJSPLKZUTYZBBKA-UHFFFAOYSA-N
XLogP-2.08
TPSA55.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50050.01
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Hydrogen Peroxide
CID 784
Hydrogen peroxide (30%)
CID 22326046
Perhydroxyl radical
CID 18500
Hydroperoxy
CID 520535
Trioxidane
CID 166717
Dioxidanylium
CID 5460577
Dioxidaniumyl
CID 5460468
Superoxide, hydrate
CID 186683
Protonated ozone
CID 6030661
Trioxidanyl
CID 6857668
Trioxidan-1-ide
CID 22955401
CID 126956702
CID 126956702

Frequently Asked Questions

What is the IUPAC name of oxidooxyoxidanium?
The IUPAC name of oxidooxyoxidanium (CID 58604412) is oxidooxyoxidanium.
What is the SMILES notation for oxidooxyoxidanium?
The canonical SMILES for oxidooxyoxidanium is [O-]O[OH2+].
What is the InChIKey of oxidooxyoxidanium?
The InChIKey is JSPLKZUTYZBBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O3/c1-3-2/h1-2H.
What are the key properties of oxidooxyoxidanium?
oxidooxyoxidanium has a molecular weight of 50.01 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxidooxyoxidanium is sourced from PubChem (CID 58604412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).