phosphonatoformate

CO5P-3 — CID 3414

IUPACphosphonatoformate
SMILESO=C([O-])P(=O)([O-])[O-]
InChIInChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
InChIKeyZJAOAACCNHFJAH-UHFFFAOYSA-K
MW122.98 g/mol
LogP-2.76
Rot. Bonds1

About phosphonatoformate

phosphonatoformate (PubChem CID 3414) has the molecular formula CO5P-3 and a molecular weight of 122.98 g/mol. Its IUPAC name is phosphonatoformate.

Molecular Properties

Compound Namephosphonatoformate
PubChem CID3414
Molecular FormulaCO5P-3
Molecular Weight122.98 g/mol
Exact Mass122.95
IUPAC Namephosphonatoformate
SMILESO=C([O-])P(=O)([O-])[O-]
InChIInChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
InChIKeyZJAOAACCNHFJAH-UHFFFAOYSA-K
XLogP-2.76
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.98
LogP ≤ 5-2.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Foscarnet
CID 3415
Foscarnet Sodium
CID 44561
Hydroxy(oxido)oxo-lambda(5)-phosphanecarboxylate
CID 51644315
Phosphonoformate(2-)
CID 4567503
Phosphinic acid-carboxylic acid
CID 19788374
Phosphoformic acid
CID 19823186
Phosphonoformate sodium salt
CID 87170422
Manganese carbonate phosphate
CID 129664737
Phosphate-iron-carbonate
CID 129858214
Sodium phosphoformate
CID 142700381
Calcium carbonate phosphate
CID 6337635
Disodium;phosphonatoformate
CID 134814447

Frequently Asked Questions

What is the IUPAC name of phosphonatoformate?
The IUPAC name of phosphonatoformate (CID 3414) is phosphonatoformate.
What is the SMILES notation for phosphonatoformate?
The canonical SMILES for phosphonatoformate is O=C([O-])P(=O)([O-])[O-].
What is the InChIKey of phosphonatoformate?
The InChIKey is ZJAOAACCNHFJAH-UHFFFAOYSA-K. The full InChI is InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3.
What are the key properties of phosphonatoformate?
phosphonatoformate has a molecular weight of 122.98 g/mol, XLogP of -2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonatoformate is sourced from PubChem (CID 3414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).