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LEWIS A TRISACCHARIDE, METHYL GLYCOSIDE

CAS No.:
186315-40-2
Catalog Number:
AG00ADSW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00ADSW
Chemical Name:
LEWIS A TRISACCHARIDE, METHYL GLYCOSIDE
CAS Number:
186315-40-2
MDL Number:
MFCD00270018
IUPAC Name:
N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methoxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
InChI:
InChI=1S/C21H37NO15/c1-6-11(26)13(28)15(30)20(33-6)36-17-9(5-24)35-19(32-3)10(22-7(2)25)18(17)37-21-16(31)14(29)12(27)8(4-23)34-21/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)/t6?,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20+,21+/m1/s1
InChI Key:
GGCROZRVVJQWNN-QITCBKQVSA-N
Properties
Complexity:
747  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Defined Bond Stereocenter Count:
0
Exact Mass:
543.216g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
543.519g/mol
Monoisotopic Mass:
543.216g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3  
Properties