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29779-51-9 | Glycine,N-methyl-N-[2,3,5,6-tetraiodo-4-(4-morpholinylcarbonyl)benzoyl]-
CAS No: 29779-51-9 Catalog No: AG007KBR MDL No:
Product Description
Catalog Number:
AG007KBR
Chemical Name:
Glycine,N-methyl-N-[2,3,5,6-tetraiodo-4-(4-morpholinylcarbonyl)benzoyl]-
CAS Number:
29779-51-9
Molecular Formula:
C15H14I4N2O5
Molecular Weight:
809.8999
IUPAC Name:
2-[methyl-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]acetic acid
InChI:
InChI=1S/C15H14I4N2O5/c1-20(6-7(22)23)14(24)8-10(16)12(18)9(13(19)11(8)17)15(25)21-2-4-26-5-3-21/h2-6H2,1H3,(H,22,23)
InChI Key:
AYYBSRXPMMTKIT-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=O)c1c(I)c(I)c(c(c1I)I)C(=O)N1CCOCC1)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
809.708g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
809.904g/mol
Monoisotopic Mass:
809.708g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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