Clavulanic acid dimer impurity

C₁₆H₁₈N₂O₁₀CAS 1260617-10-4398.32 g/mol

Open in Covalent MOL file

Alcohol Alkene Amide Carboxylic acid Ether Lactam

Properties

Molecular formula: C₁₆H₁₈N₂O₁₀
Molar mass: 398.32 g/mol
Exact mass: 398.0961 Da
logP: -2.19Crippen estimate
Polar surface area: 174.1 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 6
Stereocentres: R, R, R, Rin SMILES atom order
Double bonds: Z, ZE/Z, in SMILES order

Identifiers

CAS number

1260617-10-4

SMILES

C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)N3[C@H](O/C(=C\CO)/[C@@H]3C(=O)O)CC(=O)O

InChIKey

WDFKSRMFLRKPLO-BJBUEPEESA-N

InChI

InChI=1S/C16H18N2O10/c19-3-1-7-13(17-9(21)5-10(17)27-7)15(24)18-11(6-12(22)23)28-8(2-4-20)14(18)16(25)26/h1-2,10-11,13-14,19-20H,3-6H2,(H,22,23)(H,25,26)/b7-1-,8-2-/t10-,11-,13-,14-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(2R,4R,5Z)-2-(Carboxymethyl)-5-(2-hydroxyethylidene)-3-[(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carbonyl]-1,3-oxazolidine-4-carboxylic acid

Work with Clavulanic acid dimer impurity

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

Clavulanic acid58001-44-878 % similar Potassium clavulanate61177-45-553 % similar 1,2,3,4-Butanetetracarboxylic acid1703-58-831 % similar Edds20846-91-730 % similar

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

Elsewhere

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