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2771-48-4 | β-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS No: 2771-48-4 Catalog No: AG002UKB MDL No:
Product Description
Catalog Number:
AG002UKB
Chemical Name:
β-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate
CAS Number:
2771-48-4
Molecular Formula:
C15H23NO9
Molecular Weight:
361.3444
IUPAC Name:
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C15H23NO9/c1-7(17)16-12-14(24-10(4)20)13(23-9(3)19)11(6-22-8(2)18)25-15(12)21-5/h11-15H,6H2,1-5H3,(H,16,17)/t11-,12-,13-,14-,15-/m1/s1
InChI Key:
BKJUFVXNIJMMKO-KJWHEZOQSA-N
SMILES:
CO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
361.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.347g/mol
Monoisotopic Mass:
361.137g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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