chempirical

Sodium ascorbate

C6H7NaO6CAS 134-03-2198.11 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
Melting point
220 °C
Boiling point
235 °C
logP
-1.79Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
134-03-2
SMILES
[O-][C@@H](CO)[C@H]1OC(=O)C(O)=C1O.[Na+]
InChIKey
WTTKTIBMFBIUSE-RXSVEWSESA-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+;/m0./s1

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Names and synonyms

30 names · show all
  • L-Ascorbic acid, sodium salt (1:1)
  • L-Ascorbic acid, monosodium salt
  • Ascorbic acid, sodium deriv.
  • Ascorbicin
  • Ascorbin
  • Natrascorb
  • Natri-C
  • 3-Oxo-L-gulofuranolactone sodium
  • Sodascorbate
  • Sodium L-ascorbate
  • Vitamin C sodium
  • Cebitate
  • Cenolate
  • Monosodium ascorbate
  • Ascorbic acid sodium salt
  • L-Ascorbic acid sodium salt
  • Iskia C
  • HBL 508
  • ASK-P 10KR
  • CK 40
  • CK 40 (ascorbate)
  • E 301
  • E 301 (Antioxidant)
  • Limcee
  • Monosodium L-ascorbate
  • Vitamin C Na salt
  • Sodium (+)-L-ascorbate
  • Sodium L-(+)-ascorbate
  • Vitamin C na
  • Sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate

Work with Sodium ascorbate

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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 erythorbate6381-77-7 D-Erythro-hex-2-enonic acid, γ-lactone, sodium salt (1:?)7378-23-6

Elsewhere

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