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Home Other Building Blocks LACTO-N-DIFUCOHEXAOSE I

LACTO-N-DIFUCOHEXAOSE I

CAS No.:
16789-38-1
Catalog Number:
AG00AOEO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AOEO
Chemical Name:
LACTO-N-DIFUCOHEXAOSE I
CAS Number:
16789-38-1
MDL Number:
MFCD00792848
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
InChI:
InChI=1S/C38H65NO29/c1-9-18(48)23(53)26(56)35(59-9)65-30-16(8-44)63-34(67-32-22(52)15(7-43)61-37(28(32)58)64-29(13(47)5-41)20(50)12(46)4-40)17(39-11(3)45)31(30)66-38-33(25(55)21(51)14(6-42)62-38)68-36-27(57)24(54)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-/m0/s1
InChI Key:
OQIUPKPUOLIHHS-URTONSIPSA-N
Properties
Complexity:
1580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
29  
Defined Bond Stereocenter Count:
0
Exact Mass:
999.364g/mol
Formal Charge:
0
Heavy Atom Count:
68  
Hydrogen Bond Acceptor Count:
29  
Hydrogen Bond Donor Count:
18  
Isotope Atom Count:
0
Molecular Weight:
999.916g/mol
Monoisotopic Mass:
999.364g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
482A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-11  
Literature
Title Journal
Ultraviolet photodissociation of chromophore-labeled oligosaccharides via reductive amination and hydrazide conjugation. Journal of mass spectrometry : JMS 20110401
Enzymatic synthesis of lacto-N-difucohexaose I which binds to Helicobacter pylori. Methods in enzymology 20100101
Alkali-hydroxide-doped matrices for structural characterization of neutral underivatized oligosaccharides by MALDI time-of-flight mass spectrometry. Journal of mass spectrometry : JMS 20090301
[Studies of oligosaccharide specificity of perch roe fucolectin, using gold labeled neoglycoproteins]. Prikladnaia biokhimiia i mikrobiologiia 20030101
Properties