O-alpha-D-Mannopyranosyl-L-threonine
Basic information
- CAS
78609-12-8- Standard SMILES
C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](N)C(=O)O- InChIKey
DHIKRLNYEAMDOC-RBCVCIGJSA-N- Molecular formula
- C10H19NO8
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.11106656
Overview
O-(alpha-D-mannosyl)-L-threonine is an O-glycosyl-L-threonine.
Names & identifiers
- Preferred name
- O-alpha-D-Mannopyranosyl-L-threonine
- IUPAC
- (2S,3R)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
- English name
- O-mannopyranosylthreonine
- Molecular formula
- C10H19NO8
- Molecular weight
- 281.26
Names & synonyms
O-MannopyranosylthreonineO-Man-thr78609-12-8O-alpha-D-mannopyranosyl-L-threonineDTXSID301303157RefChem:167233DTXCID701733203O-Mannopyranosyl-L-threonineO-(alpha-D-mannosyl)-L-threonine(2S,3R)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acidO-(alpha-D-mannopyranosyl)-L-threonine(2S,3R)-2-amino-3-(alpha-D-mannopyranosyloxy)butanoic acid
Show more names
α-D-Mannopyranosyl L-threonine
A-D-Mannopyranosyl l-threonineorb1985515CHEBI:37557AKOS040753366O-I+/--D-Mannopyranosyl-L-threonineL-Threonine, O-alpha-D-mannopyranosyl-T33794Q27117189
Database identifiers
- CAS
78609-12-8- PubChem CID
- 132871
- DTXSID
DTXSID301303157- ChEBI
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 573.083 · 573.083±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.559 · 1.559±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.076 · 2.076±0.10(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: O-(alpha-D-mannosyl)-L-threonine is an O-glycosyl-L-threonine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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