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137255-40-4 | L-Asparagine, N-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 137255-40-4 Catalog No: AG00130H MDL No:MFCD06797037
Product Description
Catalog Number:
AG00130H
Chemical Name:
L-Asparagine, N-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
137255-40-4
Molecular Formula:
C17H29N3O10
Molecular Weight:
435.4263
MDL Number:
MFCD06797037
IUPAC Name:
(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C17H29N3O10/c1-7(22)18-11-13(25)12(24)9(6-21)29-14(11)20-10(23)5-8(15(26)27)19-16(28)30-17(2,3)4/h8-9,11-14,21,24-25H,5-6H2,1-4H3,(H,18,22)(H,19,28)(H,20,23)(H,26,27)/t8-,9+,11+,12+,13+,14+/m0/s1
InChI Key:
YVKMLCHQJOPFTE-WBXKCMFOSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)NC(=O)C)N([C@H](C(=O)O)CC(=O)N)C(=O)OC(C)(C)C
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
435.185g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
435.43g/mol
Monoisotopic Mass:
435.185g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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