
 CHEMBL3218459

102103  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3218459

>  <PubChem CID>
90665720

>  <Formula>
C35H54F3N2O7P

>  <Molecular Weight>
702.793000

>  <IUPAC Name>
[(2R)-2-(octadecanoylamino)-3-[4-[[4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]phenyl]propyl] dihydrogen phosphate

>  <XlogP>
9.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=NC=CC(=C2)OCC(F)(F)F)COP(=O)(O)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CC1=CC=C(C=C1)OCC2=NC=CC(=C2)OCC(F)(F)F)COP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C35H54F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(41)40-31(27-47-48(42,43)44)24-29-18-20-32(21-19-29)45-26-30-25-33(22-23-39-30)46-28-35(36,37)38/h18-23,25,31H,2-17,24,26-28H2,1H3,(H,40,41)(H2,42,43,44)/t31-/m1/s1

>  <InChI Key>
FFMZNYWFUDQTJJ-WJOKGBTCSA-N

