4,5-Desisopropylidene topiramate

C₉H₁₇NO₈SCAS 106881-41-8299.29 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₉H₁₇NO₈S
Molar mass: 299.29 g/mol
Exact mass: 299.0675 Da
logP: -2.19Crippen estimate
Polar surface area: 137.5 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 3
Stereocentres: S, R, R, Sin SMILES atom order

Identifiers

CAS number

106881-41-8

SMILES

CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)COS(=O)(=O)N)O)O)C

InChIKey

CKFVNUZYZFRVCR-JAKMQLQISA-N

InChI

InChI=1S/C9H17NO8S/c1-8(2)17-7-6(12)5(11)3-15-9(7,18-8)4-16-19(10,13)14/h5-7,11-12H,3-4H2,1-2H3,(H2,10,13,14)/t5-,6-,7+,9+/m1/s1

Weigh it out

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

Work with 4,5-Desisopropylidene topiramate

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

Topiramate97240-79-464 % similar 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose20880-92-635 % similar Rel-(5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol79944-37-933 % similar Diacetone L-sorbose17682-70-132 % similar 1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-331 % similar

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

Elsewhere

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