phosphonophosphonic acid

H4O6P2 — CID 24536

IUPACphosphonophosphonic acid
SMILESO=P(O)(O)P(=O)(O)O
InChIInChI=1S/H4O6P2/c1-7(2,3)8(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyTVZISJTYELEYPI-UHFFFAOYSA-N
MW161.97 g/mol
LogP-0.74
Rot. Bonds1

About phosphonophosphonic acid

phosphonophosphonic acid (PubChem CID 24536) has the molecular formula H4O6P2 and a molecular weight of 161.97 g/mol. Its IUPAC name is phosphonophosphonic acid.

Molecular Properties

Compound Namephosphonophosphonic acid
PubChem CID24536
Molecular FormulaH4O6P2
Molecular Weight161.97 g/mol
Exact Mass161.95
IUPAC Namephosphonophosphonic acid
SMILESO=P(O)(O)P(=O)(O)O
InChIInChI=1S/H4O6P2/c1-7(2,3)8(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyTVZISJTYELEYPI-UHFFFAOYSA-N
XLogP-0.74
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.97
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphonophosphonic acid?
The IUPAC name of phosphonophosphonic acid (CID 24536) is phosphonophosphonic acid.
What is the SMILES notation for phosphonophosphonic acid?
The canonical SMILES for phosphonophosphonic acid is O=P(O)(O)P(=O)(O)O.
What is the InChIKey of phosphonophosphonic acid?
The InChIKey is TVZISJTYELEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O6P2/c1-7(2,3)8(4,5)6/h(H2,1,2,3)(H2,4,5,6).
What are the key properties of phosphonophosphonic acid?
phosphonophosphonic acid has a molecular weight of 161.97 g/mol, XLogP of -0.74, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonophosphonic acid is sourced from PubChem (CID 24536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).