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132867-78-8 | α-L-Glucopyranose, 4,6-dideoxy-4-iodo-, tribenzoate (9CI)
CAS No: 132867-78-8 Catalog No: AG0011AD MDL No:
Product Description
Catalog Number:
AG0011AD
Chemical Name:
α-L-Glucopyranose, 4,6-dideoxy-4-iodo-, tribenzoate (9CI)
CAS Number:
132867-78-8
Molecular Formula:
C27H23IO7
Molecular Weight:
586.3718
IUPAC Name:
(2,3-dibenzoyloxy-5-iodo-6-methyloxan-4-yl) benzoate
InChI:
InChI=1S/C27H23IO7/c1-17-21(28)22(33-24(29)18-11-5-2-6-12-18)23(34-25(30)19-13-7-3-8-14-19)27(32-17)35-26(31)20-15-9-4-10-16-20/h2-17,21-23,27H,1H3
InChI Key:
UVBWMMOQMFEMPI-UHFFFAOYSA-N
SMILES:
C[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H]([C@@H]([C@H]1I)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.049g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.378g/mol
Monoisotopic Mass:
586.049g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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