Basic information
- CAS
99979-59-6- Standard SMILES
O=C(COP(=O)(O)O)Cc1cnc[nH]1- InChIKey
YCFFMSOLUMRAMD-UHFFFAOYSA-N- Molecular formula
- C6H9N2O5P
- Average molar mass
- 220.12 g/mol
Overview
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate is a member of imidazoles and an oxoalkyl phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-).
Names & identifiers
- Preferred name
- Imidazole acetol-phosphate
- IUPAC
- [3-(1H-imidazol-5-yl)-2-oxopropyl] dihydrogen phosphate
Names & synonyms
Imidazole acetol phosphate99979-59-63-(imidazol-4-yl)-2-oxopropyl phosphateimidazole acetol-phosphate3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphateCHEBI:16426[3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid[3-(1H-imidazol-5-yl)-2-oxopropyl] dihydrogen phosphate1-(1H-imidazol-4-yl)-3-(phosphonooxy)-2-propanone1-(1H-Imidazol-5-yl)-3-(phosphonooxy)-2-propanone(3-(1H-imidazol-4-yl)-2-oxopropoxy)phosphonic acid(3-(1H-imidazol-5-yl)-2-oxopropyl) dihydrogen phosphate
Show more names
RefChem:147975Imidazole acetol-phosphoric acidImidazole-acetol phosphoric acid3-(Imidazol-4-yl)-2-oxopropyl phosphoric acid3-(1h-imidazol-5-yl)-2-oxopropyl dihydrogen phosphateImidazole-acetol phosphateimidazole acetol-P3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
Database identifiers
- CAS
99979-59-6- PubChem CID
- 792
- ChEBI
CHEBI:16426- UNII
- VSR6VJ2DT6
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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