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Home > Nitro Compounds > 93496-53-8
93496-53-8 | 4-Nitrophenyl2-acetamido-2-deoxy-3-O-[2-O-(a-L-fucopyranosyl)-b-D-galactopyranosyl]-b-D-glucopyranoside
CAS No: 93496-53-8 Catalog No: AG00GT7B MDL No:MFCD07369574
Product Description
Catalog Number:
AG00GT7B
Chemical Name:
4-Nitrophenyl2-acetamido-2-deoxy-3-O-[2-O-(a-L-fucopyranosyl)-b-D-galactopyranosyl]-b-D-glucopyranoside
CAS Number:
93496-53-8
MDL Number:
MFCD07369574
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
InChI:
InChI=1S/C26H38N2O17/c1-9-16(32)19(35)21(37)25(40-9)45-23-20(36)17(33)13(7-29)43-26(23)44-22-15(27-10(2)31)24(42-14(8-30)18(22)34)41-12-5-3-11(4-6-12)28(38)39/h3-6,9,13-26,29-30,32-37H,7-8H2,1-2H3,(H,27,31)/t9-,13+,14+,15+,16+,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-/m0/s1
InChI Key:
XJDWEIUSVBUXAA-UOFGCEEZSA-N
Properties
Complexity:
982
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
15
Defined Bond Stereocenter Count:
0
Exact Mass:
650.217g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
650.587g/mol
Monoisotopic Mass:
650.217g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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