Basic information
- CAS
117821-07-5- Standard SMILES
OC[C@@H]1NC[C@H](O)[C@H](O)[C@H]1O- InChIKey
LXBIFEVIBLOUGU-BXKVDMCESA-N- Molecular formula
- C6H13NO4
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.0844579
Names & identifiers
- Preferred name
- 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-
- IUPAC
- (2S,3S,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Names & synonyms
L-DeoxymannojirimycinLDMJ3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-117821-07-5CHEMBL179085(2S,3S,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol118464-54-3deoxymannojirimycin(1)SCHEMBL9620331BDBM50403110(2S,3S,4S,5S)-2-(Hydroxymethyl)-3,4,5-piperidinetriol3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, [2S-(2.alpha.,3.beta.,4.alpha.,5.alpha.)]-
Database identifiers
- CAS
117821-07-5- PubChem CID
- 452001
- ChEMBL
CHEMBL179085- Nikkaji
- J432.959G
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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