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132867-80-2 | α-L-xylo-Hexopyranose, 4,6-dideoxy-, tribenzoate (9CI)
CAS No: 132867-80-2 Catalog No: AG0011AC MDL No:
Product Description
Catalog Number:
AG0011AC
Chemical Name:
α-L-xylo-Hexopyranose, 4,6-dideoxy-, tribenzoate (9CI)
CAS Number:
132867-80-2
Molecular Formula:
C27H24O7
Molecular Weight:
460.4753
IUPAC Name:
(2,3-dibenzoyloxy-6-methyloxan-4-yl) benzoate
InChI:
InChI=1S/C27H24O7/c1-18-17-22(32-24(28)19-11-5-2-6-12-19)23(33-25(29)20-13-7-3-8-14-20)27(31-18)34-26(30)21-15-9-4-10-16-21/h2-16,18,22-23,27H,17H2,1H3
InChI Key:
RYPRQSQRWYABQL-UHFFFAOYSA-N
SMILES:
C[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@@H]([C@@H](O1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.152g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.482g/mol
Monoisotopic Mass:
460.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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