T Epitope, Threonyl
3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid
Also Known As: T Epitope, Threonyl|Galb(1-3)GalNAc-a-Thr|(2S,3R)-3-[(2S,3S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid|O-[2-(Acetamido)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranosyl]-L-threonine|2-amino-3-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}butanoic acid|3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid|3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-amino-butanoic acid|3-{[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-2-aminobutanoic acid
| Molecular Formula | C18H32N2O13 |
|---|---|
| Molecular Weight | 484.19043 g/mol |
| LogP | -5.4287 |
| Topological Polar Surface Area | 250.72 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.19043 |
| Monoisotopic Mass | 484.19043 |
| Heavy Atoms | 33 |
| Complexity | 667.2502 |
Chemical Identifiers
| CAS Number | 60280-58-2 |
|---|---|
| SMILES | CC(C(C(=O)O)N)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(=O)C |
Product Overview
T Epitope, Threonyl (CAS 60280-58-2), with molecular formula C18H32N2O13 and molecular weight 484.19043 g/mol. IUPAC: 3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid.