IUPAC Name :[(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate
InChI :InChI=1/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1
Std.InChI: InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1
InChIKey :MJNIWUJSIGSWKK-BBANNHEPBZ
Std.InChIKey: MJNIWUJSIGSWKK-BBANNHEPSA-N
SMILES :CCCC(=O)OC[C@H]([C@H]([C@H](CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
Molar Refractivity :169.66 ± 0.5 cm3 (est)
Parachor :1323.0 ± 8.0 cm3 (est)
Index of Refraction :1.584 ± 0.05
(est)
Surface Tension :46.6 ± 7.0 dyne/cm (est)
Density :1.29 ± 0.1 g/cm3 (est)
Polarizability :67.26 ± 0.5 10-24cm3 (est)