Neu5Ac3.alpha.F-DSPE

Molecular Formula: C₅₄H₁₀₂FN₂O₁₇P

InChI: InChI=1/C54H102FN2O17P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(61)69-41-44(73-47(62)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)42-72-75(67,68)71-39-37-56-36-38-70-54(53(65)66)52(55)50(64)48(57-43(3)59)51(74-54)49(63)45(60)40-58/h44-45,48-52,56,58,60,63-64H,4-42H2,1-3H3,(H,57,59)(H,65,66)(H,67,68)/t44-,45+,48+,49+,50+,51+,52+,54+/m0/s1/f/h57,65,67H

InChIKey: InChIKey=RAJMPTQEXNTOST-FVSPHXLGDM
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCOC1(C(C(C(C(O1)C(C(CO)O)O)NC(=O)C)O)F)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Names:
    AIDS-123646
    AIDS123646
    Neu5Ac3.alpha.F-DSPE
    (2R,3R,4R,5R,6R)-5-acetamido-2-[2-[2-[[(2S)-2,3-dioctadecanoyloxypropoxy]-hydroxy-phosphoryl]oxyethylamino]ethoxy]-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
    (2S,3R,4R,5R,6R)-5-Acetylamino-2-(2-{2-[((S)-2,3-bis-octadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylamino

Registries:
    PubChem CID 493882
    PubChem ID 219774