Basic information
- CAS
117894-15-2- Standard SMILES
CC(=O)N1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C- InChIKey
GABNCVVJUQVULK-IHBLQFBFSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.10010796
Names & identifiers
- Preferred name
- N-Acetyl-1,5-dideoxy-1,5-imino-L-fucitol
- IUPAC
- 1-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]ethanone
Names & synonyms
AcFTN-Acetyl-1,5-dideoxy-1,5-imino-L-fucitol117894-15-23,4,5-Piperidinetriol, 1-acetyl-2-methyl-, (2S-(2alpha,3alpha,4alpha,5beta))-SCHEMBL29406404DTXSID60151941GABNCVVJUQVULK-IHBLQFBFSA-N1-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidyl]ethanone1-[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-methylpiperidin-1-yl]ethan-1-one3,4,5-Piperidinetriol, 1-acetyl-2-methyl-, [2S-(2a,3a,4a,5b)]-
Database identifiers
- CAS
117894-15-2- PubChem CID
- 452006
- DTXSID
DTXSID60151941- EC Number
- 439-980-3
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: ACFT (EC: 439-980-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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