(-)-Sweroside

C₁₆H₂₂O₉CAS 14215-86-2358.34 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₁₆H₂₂O₉
Molar mass: 358.34 g/mol
Exact mass: 358.1264 Da
Melting point: 98–100 °C
logP: -1.59Crippen estimate
Polar surface area: 134.9 Å²
H-bond donors / acceptors: 4 / 9
Rotatable bonds: 4

Identifiers

CAS number

14215-86-2

SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21

InChIKey

VSJGJMKGNMDJCI-ZASXJUAOSA-N

InChI

InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1

Weigh it out

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

Names and synonyms

4 names

1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, (4aS,5R,6S)-
Sweroside
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-, [4aS-(4aα,5β,6α)]-
(4aS,5R,6S)-5-Ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one

Work with (-)-Sweroside

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

Elsewhere

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