5'-Deoxypyridoxine
Basic information
- CAS
4811-03-4- Standard SMILES
Cc1cnc(C)c(O)c1CO- InChIKey
ROLBJTGZEPVEEG-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 5'-Deoxypyridoxine
- IUPAC
- 4-(hydroxymethyl)-2,5-dimethylpyridin-3-ol
- English name
- 5'-deoxypyridoxine
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
5-Deoxypyridoxol2,5-Dimethyl-3-hydroxy-4-pyridinemethanol4-(hydroxymethyl)-2,5-dimethylpyridin-3-ol5'-Deoxypyridoxine4811-03-4F6G8SL2MJT4-Pyridinemethanol, 3-hydroxy-2,5-dimethyl-DTXSID70964004RefChem:100799DTXCID3013917243-Deoxypyridoxol5-Deoxypyridoxine
Show more names
Vitamin B6 Impurity 21
UNII-F6G8SL2MJTVitamin B6 Impurity 883-HYDROXY-2,5-DIMETHYL-4-PYRIDINEMETHANOLSCHEMBL10943400SCHEMBL10943402SCHEMBL38539441Pyridoxine /Vitamin B6 Impurity 344-(Hydroxymethyl)-2,5-dimethyl-3-pyridinol #
Database identifiers
- CAS
4811-03-4- PubChem CID
- 78533
- DTXSID
DTXSID70964004- UNII
- F6G8SL2MJT
- Nikkaji
- J100.083G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 179 · 179-181 °C
- Boiling point
- 400 · 400.0±40.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- 9.92 · 9.92±0.10(Predicted)
- FDA UNII
- 6 G8SL2MJT · F6G8SL2MJT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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