
 CHEMBL29102

 83 86  0  0  0  0  0  0  0  0999 V2000
    1.5073   -0.4037    1.2025 C   0  0  0  0  0
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    4.1578   13.2846    1.5502 H   0  0  0  0  0
    4.2210   13.7826    3.1016 H   0  0  0  0  0
    5.4350    5.5553   -1.3345 H   0  0  0  0  0
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    8.9004    1.5051   -2.7876 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL29102

>  <PubChem CID>
10325243

>  <Formula>
C33H43NO6

>  <Molecular Weight>
549.708000

>  <IUPAC Name>
5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentan-1-amine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1C(C(C(C(O1)COCCCCCN)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

>  <Isomeric SMILES>
CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCCCCCN)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1

>  <InChI Key>
AFZZYNSWDWCNIN-IZDBAANZSA-N

