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GalNAc1-b-3Gal-α-OMe

CAS No.:
109303-71-1
Catalog Number:
AG0082KB
Molecular Formula:
C15H27NO11
Molecular Weight:
397.3750
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Product Description
Catalog Number:
AG0082KB
Chemical Name:
GalNAc1-b-3Gal-α-OMe
CAS Number:
109303-71-1
Molecular Formula:
C15H27NO11
Molecular Weight:
397.3750
MDL Number:
MFCD04039592
IUPAC Name:
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxan-3-yl]acetamide
InChI:
InChI=1S/C15H27NO11/c1-5(18)16-8-11(21)9(19)6(3-17)26-14(8)25-4-7-10(20)12(22)13(23)15(24-2)27-7/h6-15,17,19-23H,3-4H2,1-2H3,(H,16,18)
InChI Key:
UXYSKKBVNODRDW-UHFFFAOYSA-N
SMILES:
COC1OC(COC2OC(CO)C(C(C2NC(=O)C)O)O)C(C(C1O)O)O
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.158g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
397.377g/mol
Monoisotopic Mass:
397.158g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
10  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2  
Properties