2-(Acetylamino)-2-deoxy-alpha-L-talopyranuronic acid
Basic information
- CAS
90319-06-5- Standard SMILES
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](C(=O)O)O[C@H]1O- InChIKey
KSOXQRPSZKLEOR-USOLSPIOSA-N- Molecular formula
- C8H13NO7
- Average molar mass
- 235.19 g/mol
- Monoisotopic mass
- 235.06920175
Overview
N-acetyl-alpha-L-talosaminuronic acid is a carbohydrate acid derivative that is alpha-L-talosaminuronic acid in which the hydroxy group at position 2 is substituted by an acetamido group. It is an amino monosaccharide, a carbohydrate acid derivative and a hexuronic acid derivative.
Names & identifiers
- Preferred name
- 2-(Acetylamino)-2-deoxy-alpha-L-talopyranuronic acid
- IUPAC
- (2R,3S,4S,5R,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylic acid
- English name
- N-acetyltalosaminuronic acid
- Molecular formula
- C8H13NO7
- Molecular weight
- 235.19
Names & synonyms
N-Acetyltalosaminuronic acidTalanac90319-06-5DTXSID70238090alpha-L-Talopyranuronic acid, 2-(acetylamino)-2-deoxy-, (5Z,11alpha,13E,15S)-RefChem:909391GlyTouCan:G57379KDDTXCID90160581G57379KD2-(Acetylamino)-2-deoxy-alpha-L-talopyranuronic acid(2R,3S,4S,5R,6R)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylic acidalpha-L-N-Acetyltalosaminuronic acid
Show more names
α-L-Talopyranuronic acid, 2-(acetylamino)-2-deoxy-
alpha-L-2-N-Acetylamino-2-desoxytaluronic acidV3WF9VU8DSN-acetyl-alpha-L-talosaminuronic acidN-Acetyl-L-talosaminuronic acid2-acetamido-2-deoxy-alpha-L-talopyranuronic acidUNII-V3WF9VU8DSSCHEMBL29935939CHEBI:85106
Database identifiers
- CAS
90319-06-5- PubChem CID
- 146155
- DTXSID
DTXSID70238090- ChEBI
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 679.2 · 679.2±55.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.70(Predicted)
- FDA UNII
- 3 WF9VU8DS · V3WF9VU8DS
Chemistry & industry
Additional notes
DefinitionChEBI: A carbohydrate acid derivative that is alpha-L-talosaminuronic acid in which the hydroxy group at position 2 is substituted by an acetamido group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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