nicotinic acid N-alpha-arabinoside
Basic information
- CAS
78308-43-7- Standard SMILES
O=C([O-])c1ccc[n+]([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1- InChIKey
CXAXMXZAQOSPOI-AXTSPUMRSA-N- Molecular formula
- C11H13NO6
- Average molar mass
- 255.22 g/mol
- Monoisotopic mass
- 255.07428713
Overview
structure
Names & identifiers
- Preferred name
- nicotinic acid N-alpha-arabinoside
- IUPAC
- 1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridin-1-ium-3-carboxylate
Names & synonyms
Nicotinic acid N-alpha-arabinoside78308-43-7Pyridinium, 1-alpha-L-arabinopyranosyl-3-carboxy-, hydroxide, inner saltRefChem:1657501-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridin-1-ium-3-carboxylateDTXSID009996621-Pentopyranosylpyridin-1-ium-3-carboxylate1-alpha-L-Arabinopyranosylpyridin-1-ium-3-carboxylate
Database identifiers
- CAS
78308-43-7- PubChem CID
- 192138
- DTXSID
DTXSID00999662
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
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Related reactions
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Compound notes
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