3-Hydroxy-2,4,5-trihydroxymethylpyridine
Basic information
- CAS
29712-70-7- Standard SMILES
OCc1cnc(CO)c(O)c1CO- InChIKey
FLVIETJQVDUKMQ-UHFFFAOYSA-N- Molecular formula
- C8H11NO4
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.06880783
Overview
precursor substrate for pyridoxine synthesis by Kloeckera apiculate (yeast); RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 3-Hydroxy-2,4,5-trihydroxymethylpyridine
- IUPAC
- 2,4,5-tris(hydroxymethyl)pyridin-3-ol
Names & synonyms
3-Hydroxy-2,4,5-trihydroxymethylpyridine29712-70-73-Hydroxy-2,4,5-pyridinetrimethanol94ESA43CNZNSC-527727DTXSID60183863RefChem:911351DTXCID001063542,4,5-tris(hydroxymethyl)pyridin-3-ol2'-hydroxypyridoxol2'-hydroxypyridoxineNSC527727
Show more names
NSC 527727UNII-94ESA43CNZVitamin B6 Impurity 119SCHEMBL3761208SCHEMBL417671812,4,5-Pyridinetrimethanol,3-hydroxy-2,4,5-Pyridinetrimethanol, 3-hydroxy-DS-003560
Database identifiers
- CAS
29712-70-7- PubChem CID
- 101491
- DTXSID
DTXSID60183863- UNII
- 94ESA43CNZ
- Nikkaji
- J1.756.137E
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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