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95672-63-2 | 2-DEOXY-2-IODO-1,3,4,6-TETRA-O-ACETYL--D-GLUCOPYRANOSE
CAS No: 95672-63-2 Catalog No: AG005Z0P MDL No:
Product Description
Catalog Number:
AG005Z0P
Chemical Name:
2-DEOXY-2-IODO-1,3,4,6-TETRA-O-ACETYL--D-GLUCOPYRANOSE
CAS Number:
95672-63-2
Molecular Formula:
C14H19IO9
Molecular Weight:
458.1997
IUPAC Name:
[(2R,3R,4S,5R)-3,4,6-triacetyloxy-5-iodooxan-2-yl]methyl acetate
InChI:
InChI=1S/C14H19IO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14?/m1/s1
InChI Key:
KXQRSYVDKIOQHJ-GNMOMJPPSA-N
SMILES:
CC(=O)OC[C@H]1OC(OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)I
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
458.007g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.201g/mol
Monoisotopic Mass:
458.007g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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