Basic information
- CAS
96627-33-7- Standard SMILES
CN1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO- InChIKey
AAKDPDFZMNYDLR-DBRKOABJSA-N- Molecular formula
- C7H15NO4
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.10010796
Names & identifiers
- Preferred name
- 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (2R-(2alpha,3bbeta,4alpha,5alpha))-
- IUPAC
- (2R,3R,4R,5R)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Names & synonyms
MeDMJN-Methyl-D-deoxymannojirimycin96627-33-73,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (2R-(2alpha,3bbeta,4alpha,5alpha))-(2R,3R,4R,5R)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triolSCHEMBL29496302DTXSID70242379(2R,3R,4R,5R)-2-(hydroxymethyl)-1-methyl-piperidine-3,4,5-triol3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2R-(2a,3b,4a,5a)]-
Database identifiers
- CAS
96627-33-7- PubChem CID
- 452000
- DTXSID
DTXSID70242379- Nikkaji
- J1.513.065B
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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