(5Z,6E)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
Basic information
- CAS
534-97-4- Standard SMILES
OCC(O)C(O)C(O)C(/C=N/Nc1ccccc1)=N\Nc1ccccc1- InChIKey
BZVNQJMWJJOFFB-QITQYTSXSA-N- Molecular formula
- C18H22N4O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.1641052
Names & identifiers
- Preferred name
- (5Z,6E)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
- IUPAC
- (5Z,6E)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
- English name
- D-arabino-hexosulose bis(phenylhydrazone)
- Molecular formula
- C18H22N4O4
- Molecular weight
- 358.4
Names & synonyms
NSC121358D-Arabino-Hexosulose, bis(phenylhydrazone)D-GlucosazoneD-FructosazonePhenyl-D-glucosazonePhenyl-D-fructosazoneD-Glucose phenylosazoneD-Fructose phenylosazoneD-arabino-hexosulose bis(phenylhydrazone)D-arabino-2-Hexosulose bis(phenyl hydrazone)D-arabino-Hexos-2-ulose, 1,2-bis(2-phenylhydrazone)
Database identifiers
- CAS
534-97-4- PubChem CID
- 6399441
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 204 · 204-205 °C
- Boiling point
- 632.2 · 632.2±65.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.10(Predicted)
- FDA UNII
- 725 V6DIS8A · 725V6DIS8A
- EPA Substance Registry System
- -2 · D-arabino-Hexos-2-ulose, bis(phenylhydrazone) (534-97-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Upstream & downstream products
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