Neu5Ac3.alpha.OH-DSPE

Molecular Formula: C₅₄H₁₀₃N₂O₁₈P

InChI: InChI=1/C54H103N2O18P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(60)69-41-44(73-47(61)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)42-72-75(67,68)71-39-37-55-36-38-70-54(53(65)66)52(64)50(63)48(56-43(3)58)51(74-54)49(62)45(59)40-57/h44-45,48-52,55,57,59,62-64H,4-42H2,1-3H3,(H,56,58)(H,65,66)(H,67,68)/t44-,45+,48+,49+,50+,51+,52+,54+/m0/s1/f/h56,65,67H

InChIKey: InChIKey=SCVAJBBNAPDGDU-GLOZUDPODA
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCOC1(C(C(C(C(O1)C(C(CO)O)O)NC(=O)C)O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Names:
    AIDS-123645
    AIDS123645
    Neu5Ac3.alpha.OH-DSPE
    (2R,3R,4R,5R,6R)-5-acetamido-2-[2-[2-[[(2S)-2,3-dioctadecanoyloxypropoxy]-hydroxy-phosphoryl]oxyethylamino]ethoxy]-3,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
    (2R,3R,4R,5R,6R)-5-Acetylamino-2-(2-{2-[((S)-2,3-bis-octadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylamino

Registries:
    PubChem CID 493881
    PubChem ID 219773