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LSM

Summary
Name:dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
Synonyms:DODECYL-BETA-D-SELENOMALTOSIDE
Formula:C24 H46 O10 Se
Formal charge:0
Formula weight:573.576 Da
Component type:D-SACCHARIDE

Chemical Identifiers

ProgramVersionName
ACDLabs12.01dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside
OpenEye OEToolkits1.7.2(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecylselanyl-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(C1C(OC([Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChIInChI1.03InChI=1S/C24H46O10Se/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
InChIKeyInChI1.03MEIBWTYMLPEGMV-ALYNCGSASA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCC[Se][C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
SMILESCACTVS3.370CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.2CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O

222624

數據於2024-07-17公開中

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