chempirical

Erythorbic acid

C6H8O6CAS 89-65-6176.12 g/mol

Open in Covalent MOL file
OOOHOHOHHO
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C6H8O6
Molar mass
176.12 g/mol
Exact mass
176.0321 Da
Density
1.65 g/mL
Melting point
174 °C (decomposes)
logP
-1.41Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 605 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
89-65-6
SMILES
O=C1O[C@H]([C@H](O)CO)C(O)=C1O
InChIKey
CIWBSHSKHKDKBQ-DUZGATOHSA-N
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • D-Erythro-Hex-2-enonic acid, γ-lactone
  • D-Erythro-Hexonic acid, 3-keto-, γ-lactone
  • Erycorbin
  • Glucosaccharonic acid
  • Isoascorbic acid
  • Isovitamin C
  • Mercate 5
  • Saccharosonic acid
  • D-Araboascorbic acid
  • Araboascorbic acid, D-
  • D-(-)-Isoascorbic acid
  • Araboascorbic acid
  • D-Isoascorbic acid
  • neo-Cebicure
  • D-Erythorbic acid
  • D-Arabino-Ascorbic acid
  • NSC 8117
  • E 315

Work with Erythorbic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Chemistry of ascorbic acid50-81-7Diastereomer Sodium ascorbate134-03-2Salt, diastereomer Sodium erythorbate6381-77-7Salt Calcium ascorbate5743-27-1Salt, diastereomer Calcium ascorbate dihydrate5743-28-2Salt, diastereomer D-Erythro-Hex-2-enonic acid, γ-lactone, sodium salt (1:?)7378-23-6Salt

Similar compounds

3-O-Ethylascorbic acid86404-04-860 % similar Dehydroascorbic acid490-83-554 % similar Magnesium ascorbyl phosphate108910-78-752 % similar Magnesium ascorbyl phosphate113170-55-152 % similar Ascorbyl glucoside129499-78-152 % similar Ascorbyl palmitate137-66-652 % similar (+)-5,6-O-Isopropylidene-L-ascorbic acid15042-01-045 % similar Sodium ascorbyl phosphate66170-10-340 % similar

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

Same formula

Glucuronolactone32449-92-6 Propane-1,2,3-tricarboxylic acid99-14-9

Elsewhere

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