chempirical

Sodium erythorbate

C6H7NaO6CAS 6381-77-7198.11 g/mol

Open in Covalent MOL file
O−HOOOOHHONa+
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C6H7NaO6
Molar mass
198.11 g/mol
Exact mass
198.0140 Da
logP
-1.79Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
6381-77-7
SMILES
[O-][C@H](CO)[C@H]1OC(=O)C(O)=C1O.[Na+]
InChIKey
WTTKTIBMFBIUSE-RKJRWTFHSA-N
InChI
InChI=1S/C6H8O6.Na/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.

Names and synonyms

15 names · show all
  • D-Erythro-Hex-2-enonic acid, γ-lactone, sodium salt (1:1)
  • D-Erythro-Hex-2-enonic acid, γ-lactone, monosodium salt
  • Araboascorbic acid, monosodium salt, D-
  • neo-Cebitate
  • Sodium isoascorbate
  • Mercate 20
  • Isona
  • Erythorbic acid sodium salt
  • Sodium D-isoascorbate
  • Eribate N
  • Ozoban
  • Erbit N
  • E 316
  • Sodium isovitamin C
  • Isoascorbate C sodium

Work with Sodium erythorbate

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

Calcium ascorbate5743-27-163 % similar Chemistry of ascorbic acid50-81-759 % similar Erythorbic acid89-65-659 % similar Calcium ascorbate dihydrate5743-28-258 % similar 3-O-Ethylascorbic acid86404-04-839 % similar Ascorbyl palmitate137-66-637 % similar Magnesium ascorbyl phosphate108910-78-735 % similar Magnesium ascorbyl phosphate113170-55-135 % similar

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

Same formula

Sodium ascorbate134-03-2 D-Erythro-hex-2-enonic acid, γ-lactone, sodium salt (1:?)7378-23-6

Elsewhere

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