Basic information
- CAS
16051-76-6- Standard SMILES
O=CCP(=O)(O)O- InChIKey
YEMKIGUKNDOZEG-UHFFFAOYSA-N- Molecular formula
- C2H5O4P
- Average molar mass
- 124.03 g/mol
- Monoisotopic mass
- 123.99254563
Overview
Phosphonoacetaldehyde is a phosphonic acid consisting of acetaldehyde with the phospho group at the 2-position. It has a role as a mouse metabolite. It is functionally related to an acetaldehyde and a phosphonic acid. It is a conjugate acid of a phosphonoacetaldehyde(1-).
Names & identifiers
- Preferred name
- Phosphonoacetaldehyde
- IUPAC
- 2-oxoethylphosphonic acid
- English name
- phosphonoacetaldehyde
- Molecular formula
- C2H5O4P
- Molecular weight
- 124.03
Names & synonyms
phosphonoacetaldehyde(2-oxoethyl)phosphonic acid2-Phosphonoacetaldehyde2-Oxoethylphosphonic acid16051-76-6acetylphosphonate2-OxoethylphosphonateVPZ8FR5BMZCHEBI:18124phosphonic acid, (2-oxoethyl)-DTXSID60166898RefChem:173635
Show more names
DTXCID2089389UNII-VPZ8FR5BMZSCHEMBL261595SCHEMBL1052334SCHEMBL28267049P-(2-OXOETHYL)PHOSPHONIC ACIDDB03174PHOSPHONIC ACID, P-(2-OXOETHYL)-
Database identifiers
- CAS
16051-76-6- PubChem CID
- 490
- DTXSID
DTXSID60166898- ChEBI
CHEBI:18124- UNII
- VPZ8FR5BMZ
- Nikkaji
- J431.380A
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 8 FR5BMZ · VPZ8FR5BMZ
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: Phosphonoacetaldehyde is a phosphonic acid consisting of acetaldehyde with the phospho group at the 2-position. It has a role as a mouse metabolite. It is functionally related to a phosphonic acid and an acetaldehyde. It is a conjugate acid of a phosphonoacetaldehyde(1-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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