MOTEXAFIN GADOLINIUM

246252-06-2

MFCD11618137

C52 H72 Gd N5 O14

1148.41

InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;

InChIKey=VAZLWPAHMORDGR-WRIGXHCHSA-L

CCc1c2/cc/3\nc(/cn/c4cc(c(cc4/nc/c5n/c(c\c(c1CC)n2[Gd](OC(=O)C)OC(=O)C)/C(=C5C)CCCO)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C

氢键供体数量:2

氢键受体数量:19

XLogP3:0.0

Bulk/Fine:F