Methylazoxymethyl-beta-D-glucosiduronic acid
Basic information
- CAS
71856-48-9- Standard SMILES
CN=[N+]([O-])CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
QNYMLSPLXBBPDF-UQGZVRACSA-N- Molecular formula
- C8H14N2O8
- Average molar mass
- 266.21 g/mol
- Monoisotopic mass
- 266.07501541
Names & identifiers
- Preferred name
- Methylazoxymethyl-beta-D-glucosiduronic acid
- IUPAC
- [(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxymethyl-methylimino-oxidoazanium
- English name
- methylazoxymethyl-beta-D-glucosiduronic acid
- Molecular formula
- C8H14N2O8
- Molecular weight
- 266.21
Names & synonyms
Methylazoxymethyl-beta-D-glucosiduronic acid71856-48-9Methylazoxymethanol-beta-D-glucosiduronic acid(Methyl-ONN-azoxy)methyl-beta-D-glucopyranosiduronic acid[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxymethyl-methylimino-oxidoazaniumbeta-D-Glucopyranosiduronic acid, (methyl-ONN-azoxy)methyl-
Database identifiers
- CAS
71856-48-9- PubChem CID
- 149476
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 409.41 °C · 409.41°C (rough estimate)
- Density
- 1.4949 · 1.4949 (rough estimate)
- refractive index
- 1.42 · 1.4200 (estimate)
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Related reactions
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Compound notes
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