IUPAC Name :[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
InChI :InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m1/s1
Std.InChI: InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m1/s1
InChIKey :FVTCRASFADXXNN-MBNYWOFBBE
Std.InChIKey: FVTCRASFADXXNN-MBNYWOFBSA-N
SMILES :CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O
Molar Refractivity :101.05 ± 0.5 cm3 (est)
Parachor :761.5 ± 8.0 cm3 (est)
Index of Refraction :1.746 ± 0.05 (est)
Surface Tension :87.6 ± 7.0 dyne/cm (est)
Density :1.83 ± 0.1 g/cm3 (est)
Polarizability :40.06 ± 0.5 10-24cm3 (est)