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490028-18-7 | 4-Iodophenyl 2,3,4-Tri-O-acetyl--D-glucuronide Methyl Ester
CAS No: 490028-18-7 Catalog No: AG00DEW8 MDL No:
Product Description
Catalog Number:
AG00DEW8
Chemical Name:
4-Iodophenyl 2,3,4-Tri-O-acetyl--D-glucuronide Methyl Ester
CAS Number:
490028-18-7
IUPAC Name:
methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(4-iodophenoxy)oxane-2-carboxylate
InChI:
InChI=1S/C19H21IO10/c1-9(21)26-14-15(27-10(2)22)17(28-11(3)23)19(30-16(14)18(24)25-4)29-13-7-5-12(20)6-8-13/h5-8,14-17,19H,1-4H3/t14-,15-,16?,17-,19+/m0/s1
InChI Key:
RSFYKESPVIYVMT-UKPWKGNXSA-N
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
536.018g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
536.271g/mol
Monoisotopic Mass:
536.018g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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