oxidanium;perchlorate;hydrate

H5ClO6 — CID 71358353

IUPACoxidanium;perchlorate;hydrate
SMILESO.[O-][Cl+3]([O-])([O-])[O-].[OH3+]
InChIInChI=1S/ClHO4.2H2O/c2-1(3,4)5;;/h(H,2,3,4,5);2*1H2
InChIKeyDTSFAVOKEUXEMO-UHFFFAOYSA-N
MW136.49 g/mol
LogP-6.50
Rot. Bonds

About oxidanium;perchlorate;hydrate

oxidanium;perchlorate;hydrate (PubChem CID 71358353) has the molecular formula H5ClO6 and a molecular weight of 136.49 g/mol. Its IUPAC name is oxidanium;perchlorate;hydrate.

Molecular Properties

Compound Nameoxidanium;perchlorate;hydrate
PubChem CID71358353
Molecular FormulaH5ClO6
Molecular Weight136.49 g/mol
Exact Mass135.98
IUPAC Nameoxidanium;perchlorate;hydrate
SMILESO.[O-][Cl+3]([O-])([O-])[O-].[OH3+]
InChIInChI=1S/ClHO4.2H2O/c2-1(3,4)5;;/h(H,2,3,4,5);2*1H2
InChIKeyDTSFAVOKEUXEMO-UHFFFAOYSA-N
XLogP-6.50
TPSA156.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.49
LogP ≤ 5-6.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxidanium;perchlorate;hydrate?
The IUPAC name of oxidanium;perchlorate;hydrate (CID 71358353) is oxidanium;perchlorate;hydrate.
What is the SMILES notation for oxidanium;perchlorate;hydrate?
The canonical SMILES for oxidanium;perchlorate;hydrate is O.[O-][Cl+3]([O-])([O-])[O-].[OH3+].
What is the InChIKey of oxidanium;perchlorate;hydrate?
The InChIKey is DTSFAVOKEUXEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHO4.2H2O/c2-1(3,4)5;;/h(H,2,3,4,5);2*1H2.
What are the key properties of oxidanium;perchlorate;hydrate?
oxidanium;perchlorate;hydrate has a molecular weight of 136.49 g/mol, XLogP of -6.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;perchlorate;hydrate is sourced from PubChem (CID 71358353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).