Basic information
- Standard SMILES
O=P(O)(O)OCC(O)C(O)c1cnc[nH]1- InChIKey
HFYBTHCYPKEDQQ-UHFFFAOYSA-N- Molecular formula
- C6H11N2O6P
- Average molar mass
- 238.14 g/mol
- Monoisotopic mass
- 238.0354727
Names & identifiers
- Preferred name
- Imidazole glycerol phosphate
- IUPAC
- [2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl] dihydrogen phosphate
- English name
- 1-(1H-Imidazol-4-yl)-1,2,3-propanetriol 3-dihydrogen phosphate
- Molecular formula
- C6H11N2O6P
- Molecular weight
- 238.14
Names & synonyms
imidazole glycerol phosphate27982-01-0RefChem:10871942,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphateimidazoleglycerol phosphateSCHEMBL29406788DTXSID409506761,2,3-Propanetriol, 1-imidazol-4(or 5)-yl-, 3-phosphate1,2,3-Propanetriol,1-imidazol-4-yl-, 3-(dihydrogen phosphate)1,2,3-Propanetriol, 1-(1H-imidazol-4-yl)-, 3-(dihydrogen phosphate)1-(1H-Imidazol-4-yl)-1,2,3-propanetriol 3-dihydrogen phosphate
Database identifiers
- CAS
27982-01-0- PubChem CID
- 606
- DTXSID
DTXSID40950676- Nikkaji
- J38.563H
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 708.6 · 708.6±70.0 °C(Predicted)
- Density
- 1.804 · 1.804±0.06 g/cm3(Predicted)
- pka
- 1.82 · 1.82±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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