LSE

2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside

Created:2013-12-03
Last modified:  2020-02-14

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count10
Bond Count67
Aromatic Bond Count0
2D diagram of LSE

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Chemical Component Summary

Name2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside
Systematic Name (OpenEye OEToolkits)(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3S,4R,5R,6R)-2-(methylselanylmethyl)-4,5-bis(oxidanyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-oxane-3,4,5-triol
FormulaC18 H36 O10 Se Si
Molecular Weight519.518
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(C1C(OC(OCC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C(O)C2O)CO
SMILESCACTVS3.385C[Se]C[CH]1O[CH](OCC[Si](C)(C)C)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
SMILESOpenEye OEToolkits1.7.6C[Si](C)(C)CCOC1C(C(C(C(O1)C[Se]C)OC2C(C(C(C(O2)CO)O)O)O)O)O
Canonical SMILESCACTVS3.385 C[Se]C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
Canonical SMILESOpenEye OEToolkits1.7.6 C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChIInChI1.03 InChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
InChIKeyInChI1.03 DAHDBHYUNUXOAL-MUKCROHVSA-N

Related Resource References

Resource NameReference
PubChem 86223062