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138430-53-2 | D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
CAS No: 138430-53-2 Catalog No: AG001958 MDL No:
Product Description
Catalog Number:
AG001958
Chemical Name:
D-Glucose, O-2-amino-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
CAS Number:
138430-53-2
IUPAC Name:
N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C22H39N3O15/c1-7(30)24-9(3-26)19(39-22-14(25-8(2)31)18(36)16(34)12(6-29)38-22)20(10(32)4-27)40-21-13(23)17(35)15(33)11(5-28)37-21/h3,9-22,27-29,32-36H,4-6,23H2,1-2H3,(H,24,30)(H,25,31)/t9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-/m0/s1
InChI Key:
QJKNXGWUJQHJMA-URGUNTPUSA-N
Properties
Complexity:
839
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
14
Defined Bond Stereocenter Count:
0
Exact Mass:
585.238g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
585.56g/mol
Monoisotopic Mass:
585.238g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
300A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9
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