
 CHEMBL3814707

 78 81  0  0  0  0  0  0  0  0999 V2000
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    1.2083    6.8003   -5.3290 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3814707

>  <PubChem CID>
127048653

>  <Formula>
C31H34NO11P

>  <Molecular Weight>
627.583000

>  <IUPAC Name>
(2S)-2-amino-3-[hydroxy-[[(2R,3S)-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]-3,6-dihydro-2H-pyran-2-yl]methoxy]phosphoryl]oxypropanoic acid

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1C=CC(C(O1)COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCC2=CC=CC=C2OCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <Isomeric SMILES>
C1C=C[C@@H]([C@H](O1)COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC2=CC=CC=C2OCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C31H34NO11P/c32-26(31(34)35)20-40-44(36,37)41-21-29-28(14-7-17-38-29)43-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-14,18,26,28-29H,15-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28-,29+/m0/s1

>  <InChI Key>
QUMUJVAMABZIDA-PIZZNKLWSA-N

