Home Amines 100836-88-2
100836-88-2,MFCD00054954
Catalog No.:AA0002W4
100836-88-2 | β-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-
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Technical Information
Catalog Number:
AA0002W4
Chemical Name:
β-D-Glucopyranoside, methyl 2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-
CAS Number:
100836-88-2
Molecular Formula:
C15H27NO11
Molecular Weight:
397.3750
MDL Number:
MFCD00054954
IUPAC Name:
N-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
InChI:
InChI=1S/C15H27NO11/c1-5(19)16-8-13(10(21)7(4-18)25-14(8)24-2)27-15-12(23)11(22)9(20)6(3-17)26-15/h6-15,17-18,20-23H,3-4H2,1-2H3,(H,16,19)
InChI Key:
JPIHIQIYWZWIPU-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H](OC)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C
Properties
Computed 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:
-3.6  

Synonyms
 
Galbeta1,3GalNAcalpha-O-Me 
100836-88-2 
DTXSID30394767 
Gal1- -3GlcNAc1- -OMe 
AKOS030255264 
RT-013074 
FT-0671413 
N-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide 
GAL-(1-3)MGC 
CID3660162 
Gal1-beta-3GlcNAc1-beta-OMe 
T Antigen, alpha-Methyl Glycoside 
AC1MU4AL 
Gal1-?-3GlcNAc1-?-OMe 
Gal1-|A-3GlcNAc1-|A-OMe 
SCHEMBL15333778 
SCHEMBL20122239 
CTK8F1217 
Literature
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