IUPAC Name :S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
InChI :InChI=1/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
Std.InChI: InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
InChIKey :BTNNPSLJPBRMLZ-LGMDPLHJBS
Std.InChIKey: BTNNPSLJPBRMLZ-LGMDPLHJSA-N
SMILES :CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOP(=O)(O)O)\SC(=O)C2=CC=CC=C2)/C
MDL: MFCD00057343
Molar Refractivity :116.93 ± 0.5 cm3 (est)
Parachor :913.4 ± 8.0 cm3 (est)
Index of Refraction :1.640 ± 0.05 (est)
Surface Tension :62.9 ± 7.0 dyne/cm (est)
Density :1.43 ± 0.1 g/cm3 (est)
Polarizability :46.35 ± 0.5 10-24cm3 (est)