Glucose diethyl mercaptal

C₁₀H₂₂O₅S₂CAS 1941-52-2286.40 g/mol

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Alcohol Sulfide

Properties

Molecular formula: C₁₀H₂₂O₅S₂
Molar mass: 286.40 g/mol
Exact mass: 286.0909 Da
Melting point: 125 °C
logP: -0.75Crippen estimate
Polar surface area: 101.2 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 9
Stereocentres: R, S, R, Rin SMILES atom order

Identifiers

CAS number

1941-52-2

SMILES

CCSC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChIKey

BTOYCPDACQXQRS-LURQLKTLSA-N

InChI

InChI=1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1

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Names and synonyms

4 names

D-Glucose, diethyl dithioacetal
D-Glucose, diethyl mercaptal
NSC 19773
NSC 8521

Work with Glucose diethyl mercaptal

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

Sorbitol50-70-454 % similar Galactitol608-66-254 % similar Mannitol69-65-854 % similar Dl-mannitol87-78-554 % similar Ribitol488-81-348 % similar D-Arabitol488-82-448 % similar Arabitol7643-75-648 % similar Xylitol87-99-048 % similar

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

Elsewhere

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