Home Other Building Blocks GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP

GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP

CAS No.:
1134635-03-2
Catalog Number:
AG008WPH
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008WPH
Chemical Name:
GalNAc beta(1-3)Gal alpha(1-4)Gal beta(1-4)Glc-beta-pNP
CAS Number:
1134635-03-2
MDL Number:
MFCD15072174
IUPAC Name:
N-[(2S,3S,4R,5R,6S)-2-[(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6S)-6-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C32H48N2O23/c1-10(39)33-17-20(42)18(40)13(6-35)51-29(17)57-28-19(41)14(7-36)52-32(25(28)47)56-27-16(9-38)54-31(24(46)22(27)44)55-26-15(8-37)53-30(23(45)21(26)43)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:
AUMWVXPGKMCSQE-CUWUVIFCSA-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:
-6.3  
Properties