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GLE

Summary
Name:1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
Formula:C16 H32 F3 O6 P
Formal charge:0
Formula weight:408.391 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S)-2-(decyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (S)-phosphate
OpenEye OEToolkits1.5.0[1-decoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@](O)(=O)OC
SMILESCACTVS3.341CCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC
InChIInChI1.03InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyInChI1.03YBCDZAGHRGXDRX-HNNXBMFYSA-N

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건을2024-07-10부터공개중

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