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Home > Nitro Compounds > 173468-29-6
173468-29-6 | 4-Nitrophenyl b-D-xylotrioside
CAS No: 173468-29-6 Catalog No: AG01E6WB MDL No:
Product Description
Catalog Number:
AG01E6WB
Chemical Name:
4-Nitrophenyl b-D-xylotrioside
CAS Number:
173468-29-6
IUPAC Name:
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
InChI:
InChI=1S/C21H29NO15/c23-10-5-32-20(16(27)13(10)24)36-12-7-34-21(18(29)15(12)26)37-11-6-33-19(17(28)14(11)25)35-9-3-1-8(2-4-9)22(30)31/h1-4,10-21,23-29H,5-7H2/t10-,11-,12-,13+,14+,15+,16-,17-,18-,19+,20+,21+/m1/s1
InChI Key:
HJRGODZIIOLZRT-MVOFOWCMSA-N
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
535.154g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
535.455g/mol
Monoisotopic Mass:
535.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
243A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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