Home Other Building Blocks 4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE

4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE

CAS No.:
53643-14-4
Catalog Number:
AG00DA3J
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DA3J
Chemical Name:
4-METHYLUMBELLIFERYL BETA-D-N,N',N',N''-TETRAACETYLCHITOTETRAOSIDE
CAS Number:
53643-14-4
MDL Number:
MFCD00274442
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C42H60N4O23/c1-14-8-26(55)62-21-9-19(6-7-20(14)21)61-39-28(44-16(3)52)33(58)36(23(11-48)64-39)68-41-30(46-18(5)54)35(60)38(25(13-50)66-41)69-42-29(45-17(4)53)34(59)37(24(12-49)65-42)67-40-27(43-15(2)51)32(57)31(56)22(10-47)63-40/h6-9,22-25,27-42,47-50,56-60H,10-13H2,1-5H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t22-,23-,24-,25-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42+/m1/s1
InChI Key:
FMZCALJGBTWBDB-BGWTZNANSA-N
Properties
Complexity:
1830  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
20  
Defined Bond Stereocenter Count:
0
Exact Mass:
988.365g/mol
Formal Charge:
0
Heavy Atom Count:
69  
Hydrogen Bond Acceptor Count:
23  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
988.947g/mol
Monoisotopic Mass:
988.365g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
399A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.2  
Properties