(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine
Basic information
- CAS
176246-06-3- Standard SMILES
CC(=O)N[C@H]1NC[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
IWVRQJNSUOIUFV-VGRMVHKJSA-N- Molecular formula
- C8H16N2O4
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.111007
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine
- IUPAC
- N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide
Names & synonyms
(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-PiperidineN-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamideN-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl)acetamideRefChem:397523176246-06-3IFG1jakSCHEMBL4995760DB03861PD059454Q27461397
Database identifiers
- CAS
176246-06-3- PubChem CID
- 446429
- Nikkaji
- J1.072.940H
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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