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148705-09-3 | β-D-Glucopyranoside, 4-nitrophenyl O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
CAS No: 148705-09-3 Catalog No: AG001L5H MDL No:
Product Description
Catalog Number:
AG001L5H
Chemical Name:
β-D-Glucopyranoside, 4-nitrophenyl O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-
CAS Number:
148705-09-3
IUPAC Name:
N-[(2S,3S,4R,5S,6S)-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
InChI:
InChI=1S/C32H48N2O23/c1-10(39)33-17-27(56-31-23(45)21(43)18(40)13(6-35)52-31)19(41)14(7-36)51-29(17)57-28-20(42)15(8-37)53-32(25(28)47)55-26-16(9-38)54-30(24(46)22(26)44)50-12-4-2-11(3-5-12)34(48)49/h2-5,13-32,35-38,40-47H,6-9H2,1H3,(H,33,39)/t13-,14-,15-,16-,17-,18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28-,29-,30+,31-,32-/m0/s1
InChI Key:
UUSZRTFVRDAQGP-RMCKFCKISA-N
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
20
Defined Bond Stereocenter Count:
0
Exact Mass:
828.265g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
23
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
828.727g/mol
Monoisotopic Mass:
828.265g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
392A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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