(4S,5R)-4-(Dimethylamino)-5-hydroxyhexanal
Basic information
- CAS
18423-27-3- Standard SMILES
C[C@@H](O)[C@H](CCC=O)N(C)C- InChIKey
SZGAAHDUAFVZSS-SFYZADRCSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Overview
Forosamine is a hexosamine and a tetradeoxyhexose derivative.
Names & identifiers
- Preferred name
- (4S,5R)-4-(Dimethylamino)-5-hydroxyhexanal
- IUPAC
- (4S,5R)-4-(dimethylamino)-5-hydroxyhexanal
- English name
- forosamine
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
Forosamine(4S,5R)-4-(dimethylamino)-5-hydroxyhexanal18423-27-34-Dimethylamino-2,3,4,6-tetradeoxy-D-erythro-hexoseCHEBI:32541DTXSID60171548RefChem:141329GlyTouCan:G24842LODTXCID4094039G24842LO(4S,5R)-4-(dimethylamino)-5-hydroxyhexanal;2,3,4,6-tetradeoxy-4-dimethylamino-D-erythro-hexose2,3,4,6-tetradeoxy-4-dimethylamino-D-erythro-hexose
Show more names
(4S,5R)-4-Dimethylamino-5-hydroxyhexanalHexanal, 4-(dimethylamino)-5-hydroxy-, (4S,5R)-4-(Dimethylamino)-2,3,4,6-tetradeoxy-D-erythro-hexose
SCHEMBL465861MF58369Q27114982
Database identifiers
- CAS
18423-27-3- PubChem CID
- 193532
- DTXSID
DTXSID60171548- ChEBI
CHEBI:32541- Nikkaji
- J16.172A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 128 · 128-130 °C
- Density
- 0.974 · 0.974±0.06 g/cm3(Predicted)
- pka
- 14.66 · 14.66±0.20(Predicted)
- Comptox DTXSID
- 60171548 · DTXSID60171548
Chemistry & industry
Additional notes
DefinitionChEBI: Forosamine is a hexosamine and a tetradeoxyhexose derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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