IUPAC Name :[2-[[(3R,7R,8R,9S)-7-benzyl-9-methyl-8-(2-methylpropanoyloxy)-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxypyridin-3-yl]oxymethyl 2-methylpropanoate
InChI :InChI=1/C31H38N2O11/c1-17(2)28(35)42-16-41-26-23(39-6)12-13-32-24(26)27(34)33-22-15-40-30(37)21(14-20-10-8-7-9-11-20)25(19(5)43-31(22)38)44-29(36)18(3)4/h7-13,17-19,21-22,25H,14-16H2,1-6H3,(H,33,34)/t19-,21+,22+,25-/m0/s1
Std.InChI: InChI=1S/C31H38N2O11/c1-17(2)28(35)42-16-41-26-23(39-6)12-13-32-24(26)27(34)33-22-15-40-30(37)21(14-20-10-8-7-9-11-20)25(19(5)43-31(22)38)44-29(36)18(3)4/h7-13,17-19,21-22,25H,14-16H2,1-6H3,(H,33,34)/t19-,21+,22+,25-/m0/s1
InChIKey :QGTOTYJSCYHYFK-XSARVHFWBW
Std.InChIKey: QGTOTYJSCYHYFK-XSARVHFWSA-N
SMILES :C[C@H]1[C@@H]([C@H](C(=O)OC[C@H](C(=O)O1)NC(=O)C2=NC=CC(=C2OCOC(=O)C(C)C)OC)CC3=CC=CC=C3)OC(=O)C(C)C
Molar Refractivity :154.36 ± 0.4 cm3 (est)
Parachor :1305.2 ± 6.0 cm3 (est)
Index of Refraction :1.557 ± 0.03
(est)
Surface Tension :55.1 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :61.19 ± 0.5 10-24cm3 (est)