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490028-21-2 | 3-(Acetyloxy)-5-iodophenol-2’,3’,4’-tri-O-acetyl-β-D-glucuronide Methyl Ester
CAS No: 490028-21-2 Catalog No: AG00DEV4 MDL No:
Product Description
Catalog Number:
AG00DEV4
Chemical Name:
3-(Acetyloxy)-5-iodophenol-2’,3’,4’-tri-O-acetyl-β-D-glucuronide Methyl Ester
CAS Number:
490028-21-2
IUPAC Name:
methyl (3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(3-acetyloxy-5-iodophenoxy)oxane-2-carboxylate
InChI:
InChI=1S/C21H23IO12/c1-9(23)29-14-6-13(22)7-15(8-14)33-21-19(32-12(4)26)17(31-11(3)25)16(30-10(2)24)18(34-21)20(27)28-5/h6-8,16-19,21H,1-5H3/t16-,17-,18?,19-,21+/m1/s1
InChI Key:
HHCLYQKBEARFJZ-BZWIFKSASA-N
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
594.023g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.307g/mol
Monoisotopic Mass:
594.023g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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