Basic information
- CAS
27208-79-3- Standard SMILES
N[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
YSVQUZOHQULZQP-OCEKCAHXSA-N- Molecular formula
- C12H23NO10
- Average molar mass
- 341.31 g/mol
- Monoisotopic mass
- 341.13219593
Overview
Trehalosamine is an amino disaccharide and a glycosyl glycoside derivative.
Names & identifiers
- Preferred name
- Trehalosamine
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- Trehalosamine
- Molecular formula
- C12H23NO10
- Molecular weight
- 341.31
Names & synonyms
Trehalosamine2-Trehalosamine27208-79-3CHEBI:32525DTXSID2013175332-amino-2-deoxy-alpha-D-glucopyranosyl alpha-D-glucopyranosideRefChem:190716GlyTouCan:G09987IPDTXCID801747342G09987IPalpha-D-Glucopyranosyl 2-amino-2-deoxy-alpha-D-glucopyranosideGlcp-(1<->1)-alpha-D-GlcNp
Show more names
α-D-Glucopyranosyl 2-amino-2-deoxy-α-D-glucopyranosideα-D-Glucopyranoside, α-D-glucopyranosyl 2-amino-2-deoxy-
SCHEMBL206428alpha-D-Glucopyranoside, alpha-D-glucopyranosyl 2-amino-2-deoxy-Glucopyranoside, alpha-D-glucopyranosyl 2-amino-2-deoxy-, alpha-D-Q27114973
Database identifiers
- CAS
27208-79-3- PubChem CID
- 213871
- DTXSID
DTXSID201317533- ChEBI
CHEBI:32525- Nikkaji
- J75.604K
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 671.682 · 671.682±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.708 · 1.708±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.835 · 12.835±0.70(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Trehalosamine is a glycosyl glycoside derivative and an amino disaccharide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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