Sodium dioxidan-1-ide

HNaO2 — CID 23669912

IUPAC—
SMILES[Na+].[O-]O
InChIInChI=1S/Na.H2O2/c;1-2/h;1-2H/q+1;/p-1
InChIKeyCTPXHNFFGNDMCM-UHFFFAOYSA-M
MW56.00 g/mol
LogP-4.18
Rot. Bonds

About Sodium dioxidan-1-ide

Sodium dioxidan-1-ide (PubChem CID 23669912) has the molecular formula HNaO2 and a molecular weight of 56.00 g/mol.

Molecular Properties

Compound NameSodium dioxidan-1-ide
PubChem CID23669912
Molecular FormulaHNaO2
Molecular Weight56.00 g/mol
Exact Mass55.99
IUPAC Name—
SMILES[Na+].[O-]O
InChIInChI=1S/Na.H2O2/c;1-2/h;1-2H/q+1;/p-1
InChIKeyCTPXHNFFGNDMCM-UHFFFAOYSA-M
XLogP-4.18
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.00
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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sodium dihydrogen phosphite
CID 23701735
sodium;dihydrogen phosphite;dihydrate
CID 172830616

Frequently Asked Questions

What is the IUPAC name of Sodium dioxidan-1-ide?
The IUPAC name of Sodium dioxidan-1-ide (CID 23669912) is not available.
What is the SMILES notation for Sodium dioxidan-1-ide?
The canonical SMILES for Sodium dioxidan-1-ide is [Na+].[O-]O.
What is the InChIKey of Sodium dioxidan-1-ide?
The InChIKey is CTPXHNFFGNDMCM-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O2/c;1-2/h;1-2H/q+1;/p-1.
What are the key properties of Sodium dioxidan-1-ide?
Sodium dioxidan-1-ide has a molecular weight of 56.00 g/mol, XLogP of -4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium dioxidan-1-ide is sourced from PubChem (CID 23669912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).