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MG8

Summary
Name:N-OCTANOYL-N-METHYLGLUCAMINE
Synonyms:MEGA 8
N-(D-GLUCITYL)-N-METHYLOCTANAMIDE
Formula:C15 H31 N O6
Formal charge:0
Formula weight:321.41 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-deoxy-1-[methyl(octanoyl)amino]hexitol
OpenEye OEToolkits1.5.0N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
SMILESCACTVS3.341CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O
SMILESOpenEye OEToolkits1.5.0CCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
InChIInChI1.03InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3
InChIKeyInChI1.03SBWGZAXBCCNRTM-UHFFFAOYSA-N

222624

數據於2024-07-17公開中

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