2-[[8-[[3-[(5-氯-2,6-二氟-4-嘧啶基)氨基]苯甲酰基]氨基]-1-羟基-3,6-二磺酸基-2-萘基]偶氮]萘-1,5-二磺酸四钠

68238-92-6

MFCD23142808

C31 H15 Cl F2 N6 O14 S4 . 4 Na

989.161

InChI=1S/C31H19ClF2N6O14S4.4Na/c32-24-28(33)37-31(34)38-29(24)35-15-4-1-3-13(9-15)30(42)36-20-12-16(55(43,44)45)10-14-11-22(57(49,50)51)25(26(41)23(14)20)40-39-19-8-7-17-18(27(19)58(52,53)54)5-2-6-21(17)56(46,47)48;;;;/h1-12,41H,(H,36,42)(H,35,37,38)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b40-39+;;;;

InChIKey=KFZGCQOLFVUWBZ-RJOFBDMQSA-J

c1cc(cc(c1)Nc2c(c(nc(n2)F)F)Cl)C(=O)Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)[O-])/N=N/c5ccc6c(c5S(=O)(=O)[O-])cccc6S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

pro_donors:3

pro_acceptors:20

XLogP3:1.0

Bulk/Fine:F