IUPAC Name :(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enoxy]oxane-3,4,5-triol
InChI :InChI=1/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
Std.InChI: InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2+/t9-,11-,12+,13-,16-/m1/s1
InChIKey :UUPDCCPAOMDMPT-HNVSNYHQBF
Std.InChIKey: UUPDCCPAOMDMPT-HNVSNYHQSA-N
SMILES :C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molar Refractivity :89.90 ± 0.5 cm3 (est)
Parachor :660.0 ± 8.0 cm3 (est)
Index of Refraction :1.713 ± 0.05
(est)
Surface Tension :68.5 ± 7.0 dyne/cm (est)
Density :1.66 ± 0.1 g/cm3 (est)
Polarizability :35.64 ± 0.5 10-24cm3 (est)