chempirical

Dehydroascorbic acid

C6H6O6CAS 490-83-5174.11 g/mol

Open in Covalent MOL file
OOOHOHOO
AlcoholEsterKetoneLactone

Properties

Molecular formula
C6H6O6
Molar mass
174.11 g/mol
Exact mass
174.0164 Da
Melting point
204–205 °C (decomposes)
logP
-2.60Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
490-83-5
SMILES
O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O
InChIKey
SBJKKFFYIZUCET-JLAZNSOCSA-N
InChI
InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • L-Threo-2,3-Hexodiulosonic acid, γ-lactone
  • Dehydroascorbic acid, L-
  • DHAA
  • Oxidized ascorbic acid
  • L-Ascorbic acid, dehydro-
  • L-Dehydroascorbic acid
  • L-Threo-Dehydroascorbic acid
  • Dehydro-L-ascorbic acid
  • L-Ascorbic acid, oxidized
  • Oxidized vitamin C

Work with Dehydroascorbic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chemistry of ascorbic acid50-81-754 % similar Erythorbic acid89-65-654 % similar 3-O-Ethylascorbic acid86404-04-847 % similar Sodium ascorbyl phosphate66170-10-342 % similar Magnesium ascorbyl phosphate108910-78-741 % similar Magnesium ascorbyl phosphate113170-55-141 % similar Ascorbyl glucoside129499-78-141 % similar 2-Deoxy-D-ribono-1,4-lactone34371-14-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

trans-Aconitic acid4023-65-8 Isocitric acid lactone4702-32-3 Aconitic acid499-12-7 cis-Aconitic acid585-84-2 Benzenehexol608-80-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia