
 CHEMBL610992

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL610992

>  <PubChem CID>
46876267

>  <Formula>
C19H29N5O5

>  <Molecular Weight>
407.471000

>  <IUPAC Name>
(3R,4S,5R)-2-[6-amino-2-(3-cyclohexylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CCC(CC1)CCCOC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

>  <Isomeric SMILES>
C1CCC(CC1)CCCOC2=NC3=C(C(=N2)N)N=CN3C4[C@@H]([C@@H]([C@H](O4)CO)O)O

>  <InChI Std. ID>
InChI=1S/C19H29N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,25-27H,1-9H2,(H2,20,22,23)/t12-,14-,15-,18?/m1/s1

>  <InChI Key>
AXQPZHZXHWEFFP-PZGKNFOESA-N

