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38229-75-3 | 4-Iodophenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
CAS No: 38229-75-3 Catalog No: AG007ARS MDL No:
Product Description
Catalog Number:
AG007ARS
Chemical Name:
4-Iodophenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
CAS Number:
38229-75-3
Molecular Formula:
C20H24INO9
Molecular Weight:
549.3103
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(4-iodophenoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C20H24INO9/c1-10(23)22-17-19(29-13(4)26)18(28-12(3)25)16(9-27-11(2)24)31-20(17)30-15-7-5-14(21)6-8-15/h5-8,16-20H,9H2,1-4H3,(H,22,23)/t16-,17-,18-,19-,20-/m1/s1
InChI Key:
BACZETLXMXQASX-LASHMREHSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)I)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
549.05g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
549.314g/mol
Monoisotopic Mass:
549.05g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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