Bromoacetylpyridoxamine phosphate
Basic information
- CAS
67731-58-2- Standard SMILES
Cc1ncc(COP(=O)(O)O)c(CNC(=O)CBr)c1O- InChIKey
PIWCJHVEBKZBOR-UHFFFAOYSA-N- Molecular formula
- C10H14BrN2O6P
- Average molar mass
- 369.11 g/mol
- Monoisotopic mass
- 367.97729
Names & identifiers
- Preferred name
- Bromoacetylpyridoxamine phosphate
- IUPAC
- [4-[[(2-bromoacetyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
- English name
- bromoacetylpyridoxamine phosphate
- Molecular formula
- C10H14BrN2O6P
- Molecular weight
- 369.11
Names & synonyms
Bromoacetylpyridoxamine phosphate67731-58-2DTXSID50218012Acetamide, 2-bromo-N-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)-RefChem:121543DTXCID70140503(4-((2-Bromoacetamido)methyl)-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate{4-[(2-Bromoacetamido)methyl]-5-hydroxy-6-methylpyridin-3-yl}methyl dihydrogen phosphateBromacetylpyridoxaminphosphatAcetamide, 2-bromo-N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]-
Database identifiers
- CAS
67731-58-2- PubChem CID
- 194263
- DTXSID
DTXSID50218012
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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