5591-33-3
IOSEFAMIC ACID
Name
IOSEFAMIC ACID
Formula
C28 H28 I6 N4 O8
MolWeight
1309.95
1Identification
【Name】
IOSEFAMIC ACID
【CAS】
【MDL】
MFCD00867939
【English Synonyms】
【Formula】
C28 H28 I6 N4 O8
【MolWeight】
1309.95
【Inchi】
InChI=1S/C28H28I6N4O8/c1-35-25(41)13-17(29)15(27(43)44)21(33)23(19(13)31)37-11(39)9-7-5-3-4-6-8-10-12(40)38-24-20(32)14(26(42)36-2)18(30)16(22(24)34)28(45)46/h3-10H2,1-2H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)(H,43,44)(H,45,46)
【InChIKey】
InChIKey=RXUVYYAWLAIABB-UHFFFAOYSA-N
【SMILES】
CNC(=O)c1c(c(c(c(c1I)NC(=O)CCCCCCCCC(=O)Nc2c(c(c(c(c2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:12
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
IOSEFAMIC ACID.cml
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