Basic information
- CAS
67315-18-8- Standard SMILES
CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](N)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
KUIFHYPNNRVEKZ-VIJRYAKMSA-N- Molecular formula
- C12H22N2O8
- Average molar mass
- 322.31 g/mol
Overview
O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine is a L-threonine derivative that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-threonine. It has a role as a tumour antigen. It is a non-proteinogenic L-alpha-amino acid and a L-threonine derivative.
Names & identifiers
- Preferred name
- O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine
- IUPAC
- (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
- English name
- O-[2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl]-L-threonine
- Molecular formula
- C12H22N2O8
- Molecular weight
- 322.31
Names & synonyms
O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine67315-18-8GalNAc(alpha1->O)ThrO-[2-(Acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-L-threonineCHEBI:53609O-((2S,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-L-threonineO-(2-acetamido-2-deoxy-alpha-D-galactopyranosyl)-L-threonine3-O-(2-acetamido-2-deoxy-alpha-D-galactopyranosyl)-L-threonineEpitope ID:221846CHEMBL1236350SCHEMBL30033935Q27124111
Show more names
Thr(α-D-GalNHAc)-OHN-Acetyl-alpha-D-galactosaminyl-1-O-L-threonine2-Acetamido-2-deoxy-alpha-D-galactopyranosyl L-threonineO-[2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl]-L-threonineL-Threonine, O-[2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-
O-[2-(Acetylamino)-2-deoxy-a-D-galactopyranosyl]-L-threonine(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 686.9 · 686.9±55.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 2.08 · 2.08±0.10(Predicted)
Chemistry & industry
Applications
UsesO-[2-(Acetylamino)-2-deoxy-α-D-galactopyranosyl]-L-threonine is a reagent used in the preparation of Thomsen-nouveau (Tn) antigens and hydrazide derivatives for antitumor treatments.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
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Compound notes
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