IUPAC Name :(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
InChI :InChI=1/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
Std.InChI: InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
InChIKey :OHEMBWZZEKCBAS-UUOKFMHZBI
Std.InChIKey: OHEMBWZZEKCBAS-UUOKFMHZSA-N
SMILES :C1=NC(=C(C(=N1)N[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-])N
Molar Refractivity :65.65 ± 0.3 cm3 (est)
Parachor :522.2 ± 4.0 cm3 (est)
Index of Refraction :1.771 ± 0.02
(est)
Surface Tension :119.9 ± 3.0 dyne/cm (est)
Density :1.820 ± 0.06 g/cm3 (est)
Polarizability :26.02 ± 0.5 10-24cm3 (est)