D-Erythro-hex-2-enonic acid, γ-lactone, sodium salt (1:?)

C₆H₇NaO₆CAS 7378-23-6198.11 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester Lactone

Properties

Molecular formula: C₆H₇NaO₆
Molar mass: 198.11 g/mol
Exact mass: 198.0140 Da
logP: -1.79Crippen estimate
Polar surface area: 107.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

7378-23-6

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

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Names and synonyms

1 names

D-Erythro-Hex-2-enonic acid, γ-lactone, sodium salt

Work with D-Erythro-hex-2-enonic acid, γ-lactone, sodium salt (1:?)

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 Sodium erythorbate6381-77-7

Elsewhere

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