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100991-94-4 | L-Asparagine, N-[2-(acetylamino)-2-deoxy-D-galactopyranosyl]-
CAS No: 100991-94-4 Catalog No: AG0003EV MDL No:
Product Description
Catalog Number:
AG0003EV
Chemical Name:
L-Asparagine, N-[2-(acetylamino)-2-deoxy-D-galactopyranosyl]-
CAS Number:
100991-94-4
Molecular Formula:
C12H21N3O8
Molecular Weight:
335.3104
IUPAC Name:
6-acetamido-3-amino-7,8,9,10-tetrahydroxy-4,5-dioxodecanamide
InChI:
InChI=1S/C12H21N3O8/c1-4(17)15-8(12(23)10(21)6(18)3-16)11(22)9(20)5(13)2-7(14)19/h5-6,8,10,12,16,18,21,23H,2-3,13H2,1H3,(H2,14,19)(H,15,17)
InChI Key:
UBZMHGUKHUSUFR-UHFFFAOYSA-N
SMILES:
OC[C@H]1OC(N[C@H](C(=O)O)CC(=O)N)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
335.313g/mol
Monoisotopic Mass:
335.133g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
213A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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