Basic information
- CAS
5959-82-0- Standard SMILES
O=C1O[C@H]([C@H](O)CO)C(=O)C1=O- InChIKey
SBJKKFFYIZUCET-DUZGATOHSA-N- Molecular formula
- C6H6O6
- Average molar mass
- 174.11 g/mol
- Monoisotopic mass
- 174.01643791
Overview
structure given in first source
Names & identifiers
- Preferred name
- Dehydroerythorbic acid
- IUPAC
- (5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
- English name
- dehydroerythorbic acid
- Molecular formula
- C6H6O6
- Molecular weight
- 174.11
Names & synonyms
Dehydroerythorbic acid5959-82-0HGL1G4ARZ3D-erythro-2,3-Hexodiulosonic acid, gamma-lactoneRefChem:404395D-dehydroisoascorbic acid(5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione(L)-Dehydroascorbic acidDehydroisoascorbic acidUNII-HGL1G4ARZ3D-ISODEHYDROASCORBIC ACIDSCHEMBL13396038
Show more names
D-erythro-2,3-Hexodiulosonic acid, γ-lactone
ERYTHORBIC ACID, DEHYDRO-ARABOASCORBIC ACID, DEHYDRO-Q27896957D-ERYTHRO-2,3-HEXODIULOSONIC ACID, .GAMMA.-LACTONE
Database identifiers
- CAS
5959-82-0- PubChem CID
- 210328
- UNII
- HGL1G4ARZ3
- EC Number
- 984-693-3
- Nikkaji
- J488.783B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- FDA UNII
- 1 G4ARZ3 · HGL1G4ARZ3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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