IUPAC Name :(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI :InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
Std.InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
InChIKey :OVBPIULPVIDEAO-LBPRGKRZBH
Std.InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N
SMILES :C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
MDL: MFCD00079305
Molar Refractivity :107.81 ± 0.5 cm3 (est)
Parachor :783.3 ± 8.0 cm3 (est)
Index of Refraction :1.762 ± 0.05 (est)
Surface Tension :80.6 ± 7.0 dyne/cm (est)
Density :1.68 ± 0.1 g/cm3 (est)
Polarizability :42.74 ± 0.5 10-24cm3 (est)