
 VPC32183

 93 94  0  0  0  0  0  0  0  0999 V2000
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   12.3785   -3.1609   -2.2723 C   0  0  0  0  0
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   11.1081    7.0669    2.2403 H   0  0  0  0  0
   10.8504    8.1465    0.8721 H   0  0  0  0  0
   13.1599    7.7042    0.0501 H   0  0  0  0  0
   13.4240    6.5374    1.3451 H   0  0  0  0  0
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   16.7066   12.0902    1.3892 H   0  0  0  0  0
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   15.9558   12.2364   -1.1116 H   0  0  0  0  0
   17.0934   16.0156   -2.7535 H   0  0  0  0  0
   14.3667   15.1256   -4.3309 H   0  0  0  0  0
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M  END

>  <Chemical Name>
VPC32183

>  <PubChem CID>
44392752

>  <Formula>
C33H51N2O6P

>  <Molecular Weight>
602.753000

>  <IUPAC Name>
[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(pyridin-3-ylmethoxy)phenyl]propyl] dihydrogen phosphate

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CN=CC=C2)COP(=O)(O)O

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CC1=CC=C(C=C1)OCC2=CN=CC=C2)COP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(36)35-31(28-41-42(37,38)39)25-29-20-22-32(23-21-29)40-27-30-18-17-24-34-26-30/h9-10,17-18,20-24,26,31H,2-8,11-16,19,25,27-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1

>  <InChI Key>
KMTDWYLEJRZIJN-HWNQJZBBSA-N

