BUTANEDIOIC ACID, MONO[[6-[3-(3-CARBOXY-1-OXOPROPOXY)-3,4-DIHYDRO-5,7-DIHYDROXY-4-OXO-2H-1-BENZOPYRAN-2-YL]-2,3-DIHYDRO-3-(4-HYDROXY-3-METHOXYPHENYL)-1,4-BENZODIOXIN-2-YL]METHYL] ESTER, DISODIUM SALT, [2R-[2ALPHA,3BETA,6(2R*,3R*)]]-

55254-34-7

MFCD01741036

C33 H28 O16 . 2 Na

726.548

InChI=1S/C33H30O16.2Na/c1-44-21-10-15(2-4-18(21)35)31-24(14-45-27(41)8-6-25(37)38)46-20-5-3-16(11-22(20)47-31)32-33(49-28(42)9-7-26(39)40)30(43)29-19(36)12-17(34)13-23(29)48-32;;/h2-5,10-13,24,31-36H,6-9,14H2,1H3,(H,37,38)(H,39,40);;/q;2*+1/p-2

InChIKey=YIDLJQVKFQDISS-UHFFFAOYSA-L

COc1cc(ccc1O)C2C(Oc3ccc(cc3O2)C4C(C(=O)c5c(cc(cc5O4)O)O)OC(=O)CCC(=O)[O-])COC(=O)CCC(=O)[O-].[Na+].[Na+]

H bond donor:3

H bond acceptor:16

XLogP3:2.0

Bulk/Fine:F