phosphorosooxymethylphosphonic acid

CH4O5P2 — CID 57271874

IUPACphosphorosooxymethylphosphonic acid
SMILESO=POCP(=O)(O)O
InChIInChI=1S/CH4O5P2/c2-7-6-1-8(3,4)5/h1H2,(H2,3,4,5)
InChIKeyQWXCYMQTKCGQPL-UHFFFAOYSA-N
MW157.99 g/mol
LogP0.34
Rot. Bonds3

About phosphorosooxymethylphosphonic acid

phosphorosooxymethylphosphonic acid (PubChem CID 57271874) has the molecular formula CH4O5P2 and a molecular weight of 157.99 g/mol. Its IUPAC name is phosphorosooxymethylphosphonic acid.

Molecular Properties

Compound Namephosphorosooxymethylphosphonic acid
PubChem CID57271874
Molecular FormulaCH4O5P2
Molecular Weight157.99 g/mol
Exact Mass157.95
IUPAC Namephosphorosooxymethylphosphonic acid
SMILESO=POCP(=O)(O)O
InChIInChI=1S/CH4O5P2/c2-7-6-1-8(3,4)5/h1H2,(H2,3,4,5)
InChIKeyQWXCYMQTKCGQPL-UHFFFAOYSA-N
XLogP0.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.99
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphorosooxymethylphosphonic acid?
The IUPAC name of phosphorosooxymethylphosphonic acid (CID 57271874) is phosphorosooxymethylphosphonic acid.
What is the SMILES notation for phosphorosooxymethylphosphonic acid?
The canonical SMILES for phosphorosooxymethylphosphonic acid is O=POCP(=O)(O)O.
What is the InChIKey of phosphorosooxymethylphosphonic acid?
The InChIKey is QWXCYMQTKCGQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O5P2/c2-7-6-1-8(3,4)5/h1H2,(H2,3,4,5).
What are the key properties of phosphorosooxymethylphosphonic acid?
phosphorosooxymethylphosphonic acid has a molecular weight of 157.99 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorosooxymethylphosphonic acid is sourced from PubChem (CID 57271874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).