Neu5Ac-DSPE

Molecular Formula: C₅₄H₁₀₃N₂O₁₇P

InChI: InChI=1/C54H103N2O17P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(61)68-42-45(72-49(62)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)43-71-74(66,67)70-39-37-55-36-38-69-54(53(64)65)40-46(59)50(56-44(3)58)52(73-54)51(63)47(60)41-57/h45-47,50-52,55,57,59-60,63H,4-43H2,1-3H3,(H,56,58)(H,64,65)(H,66,67)/t45-,46-,47+,50+,51+,52+,54+/m0/s1/f/h56,64,66H

InChIKey: InChIKey=HZIAAHRBDXMKBC-XQBGGWCPDP
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNCCOC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC

Names:
    AIDS-123643
    AIDS123643
    Neu5Ac-DSPE
    (2R,4S,5R,6R)-5-acetamido-2-[2-[2-[[(2S)-2,3-dioctadecanoyloxypropoxy]-hydroxy-phosphoryl]oxyethylamino]ethoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
    (2R,4S,5R,6R)-5-Acetylamino-2-(2-{2-[((S)-2,3-bis-octadecanoyloxy-propoxy)-hydroxy-phosphoryloxy]-ethylamino

Registries:
    PubChem CID 493879
    PubChem ID 219771