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Basic information
- Standard SMILES
O=C(O)c1c(OCc2ccccc2)c(=O)ccn1CC(O)CO- InChIKey
RTNJSNISZQOUJS-UHFFFAOYSA-N- Molecular formula
- C16H17NO6
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.10558726
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-1-(2,3-dihydroxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
- IUPAC
- 1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
Names & synonyms
1206102-06-83-(Benzyloxy)-1-(2,3-dihydroxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acidMFCD227416063-Benzyloxy-1-(2,3-dihydroxy-propyl)-4-oxo-1,4-dihydro-pyridine-2-carboxylic acid1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid1-(2,3-dihydroxypropyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylic acidRTNJSNISZQOUJS-UHFFFAOYSA-NSCHEMBL1359033SY244212DB-122432CS-0442347F12664
Show more names
3-benzyloxy-1-(2,3-dihydroxypropyl)-4-oxo-pyridine-2-carboxylic acid3-(Benzyloxy)-1-(2,3-dihydroxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxylicacid
Database identifiers
- PubChem CID
- 46239272
- Nikkaji
- J3.749.598K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
Related reactions
7 records
Compound notes
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