IUPAC Name :2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one
InChI :InChI=1/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,13+,14?/m1/s1
Std.InChI: InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,13+,14?/m1/s1
InChIKey :PYQSUTLVBSTCSK-BJPDSMLBBS
Std.InChIKey: PYQSUTLVBSTCSK-BJPDSMLBSA-N
SMILES :C1=CC=C2C(=C1)NC(=O)C(O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Molar Refractivity :70.89 ± 0.5 cm3 (est)
Parachor :536.1 ± 8.0 cm3 (est)
Index of Refraction :1.701 ± 0.05
(est)
Surface Tension :73.5 ± 7.0 dyne/cm (est)
Density :1.78 ± 0.1 g/cm3 (est)
Polarizability :28.10 ± 0.5 10-24cm3 (est)