5-Hydroxy-6-methylpyridine-3,4-dimethanol phosphate
Basic information
- CAS
1142-43-4- Standard SMILES
Cc1ncc(CO)c(CO)c1O.O=P(O)(O)O- InChIKey
IPGWPDHPOQYBMR-UHFFFAOYSA-N- Molecular formula
- C8H14NO7P
- Average molar mass
- 267.17 g/mol
- Monoisotopic mass
- 267.05078878
Names & identifiers
- Preferred name
- 5-Hydroxy-6-methylpyridine-3,4-dimethanol phosphate
- IUPAC
- 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;phosphoric acid
- English name
- 5-hydroxy-6-methylpyridine-3,4-dimethanol phosphate
- Molecular formula
- C8H12NO6P
- Molecular weight
- 249.157741
Names & synonyms
1142-43-45-Hydroxy-6-methylpyridine-3,4-dimethanol phosphateEINECS 214-535-4SCHEMBL43879DTXSID60150676IPGWPDHPOQYBMR-UHFFFAOYSA-N4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;phosphoric acidNS00081468Phosphoric acid--4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (1/1)5-Hydroxy-6-methyl-3,4-pyridinedimethanol/phosphoric acid,(1:x)
Database identifiers
- CAS
1142-43-4- PubChem CID
- 71608
- DTXSID
DTXSID60150676- EC Number
- 214-535-4
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 192
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Compound notes
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