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10022-13-6 | β-D-Glucopyranose, 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3,4,6-tetraacetate
CAS No: 10022-13-6 Catalog No: AG0001AJ MDL No:MFCD00080781
Product Description
Catalog Number:
AG0001AJ
Chemical Name:
β-D-Glucopyranose, 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3,4,6-tetraacetate
CAS Number:
10022-13-6
Molecular Formula:
C22H23NO11
Molecular Weight:
477.4181
MDL Number:
MFCD00080781
IUPAC Name:
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C22H23NO11/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)17(22(34-16)33-13(4)27)23-20(28)14-7-5-6-8-15(14)21(23)29/h5-8,16-19,22H,9H2,1-4H3/t16-,17-,18-,19-,22-/m1/s1
InChI Key:
DUXJAHFLYZUOPT-ACMVSEJYSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
477.127g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.422g/mol
Monoisotopic Mass:
477.127g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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