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31127-82-9 | iodoxamic acid
CAS No: 31127-82-9 Catalog No: AG00BGE6 MDL No:
Product Description
Catalog Number:
AG00BGE6
Chemical Name:
iodoxamic acid
CAS Number:
31127-82-9
IUPAC Name:
3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
InChI:
InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
InChI Key:
WWVAPFRKZMUPHZ-UHFFFAOYSA-N
EC Number:
250-478-1
UNII:
NS1Y283HW4
Properties
Complexity:
868
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1287.586g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
1287.925g/mol
Monoisotopic Mass:
1287.586g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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