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910907-23-2 | 3,3’,5-Triiodo-L-thyronineAcylβ-D-Glucuronide
CAS No: 910907-23-2 Catalog No: AG01E5RN MDL No:
Product Description
Catalog Number:
AG01E5RN
Chemical Name:
3,3’,5-Triiodo-L-thyronineAcylβ-D-Glucuronide
CAS Number:
910907-23-2
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C21H20I3NO10/c22-9-6-8(1-2-13(9)26)33-17-10(23)3-7(4-11(17)24)5-12(25)20(32)35-21-16(29)14(27)15(28)18(34-21)19(30)31/h1-4,6,12,14-16,18,21,26-29H,5,25H2,(H,30,31)/t12-,14-,15-,16+,18-,21-/m0/s1
InChI Key:
LQMBVWCQWFEPFK-DKBYMCRTSA-N
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
826.822g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
827.101g/mol
Monoisotopic Mass:
826.822g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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