phosphonooxidanium

H4O4P+ — CID 18346534

About phosphonooxidanium

phosphonooxidanium (PubChem CID 18346534) has the molecular formula H4O4P+ and a molecular weight of 99.00 g/mol. Its IUPAC name is phosphonooxidanium.

Molecular Properties

• Compound Name: phosphonooxidanium
• PubChem CID: 18346534
• Molecular Formula: H4O4P+
• Molecular Weight: 99.00 g/mol
• Exact Mass: 98.98
• IUPAC Name: phosphonooxidanium
• SMILES: O=P(O)(O)[OH2+]
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p+1
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-O
• XLogP: -1.20
• TPSA: 80.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	99.00
LogP ≤ 5	-1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of phosphonooxidanium?

The IUPAC name of phosphonooxidanium (CID 18346534) is phosphonooxidanium.

What is the SMILES notation for phosphonooxidanium?

The canonical SMILES for phosphonooxidanium is O=P(O)(O)[OH2+].

What is the InChIKey of phosphonooxidanium?

The InChIKey is NBIIXXVUZAFLBC-UHFFFAOYSA-O. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p+1.

What are the key properties of phosphonooxidanium?

phosphonooxidanium has a molecular weight of 99.00 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for phosphonooxidanium is sourced from PubChem (CID 18346534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).