Home Other Building Blocks 4-METHYLUMBELLIFERYL B-D-CHITOBIOSE PERACETATE

4-METHYLUMBELLIFERYL B-D-CHITOBIOSE PERACETATE

CAS No.:
122147-95-9
Catalog Number:
AG009EXZ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009EXZ
Chemical Name:
4-METHYLUMBELLIFERYL B-D-CHITOBIOSE PERACETATE
CAS Number:
122147-95-9
MDL Number:
MFCD09841038
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4-acetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C36H44N2O18/c1-15-11-28(46)53-25-12-23(9-10-24(15)25)52-35-29(37-16(2)39)34(51-22(8)45)32(27(54-35)14-48-19(5)42)56-36-30(38-17(3)40)33(50-21(7)44)31(49-20(6)43)26(55-36)13-47-18(4)41/h9-12,26-27,29-36H,13-14H2,1-8H3,(H,37,39)(H,38,40)/t26-,27-,29-,30-,31-,32-,33-,34-,35-,36+/m1/s1
InChI Key:
OZQAXINUAWYDOY-KFWYJRSWSA-N
Properties
Complexity:
1550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
792.259g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
792.744g/mol
Monoisotopic Mass:
792.259g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties