IUPAC Name :(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
InChI :InChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Std.InChI: InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey :WUUGFSXJNOTRMR-IOSLPCCCBD
Std.InChIKey: WUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES :CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O
MDL: MFCD00010533
Molar Refractivity :71.34 ± 0.5 cm3 (est)
Parachor :487.7 ± 8.0 cm3 (est)
Index of Refraction :1.843 ± 0.05
(est)
Surface Tension :85.0 ± 7.0 dyne/cm (est)
Density :1.85 ± 0.1 g/cm3 (est)
Polarizability :28.28 ± 0.5 10-24cm3 (est)