Basic information
- CAS
127995-29-3- Standard SMILES
OC[C@H]1N[C@H](CO)[C@@H](O)C(O)[C@@H]1O- InChIKey
CLVUFWXGNIFGNC-KVTDHHQDSA-N- Molecular formula
- C7H15NO5
- Average molar mass
- 193.2 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- Homomannojirimycin
- IUPAC
- (2R,3R,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
- English name
- homomannojirimycin
- Molecular formula
- C7H15NO5
- Molecular weight
- 193.1977
Names & synonyms
HomomannojirimycinHomoman-nojirimycin127995-29-3RefChem:146747CHEMBL2114210(2R,3R,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triolalpha-Homomannojirimycin.alpha.-HomomannojirimycinSCHEMBL1479404CLVUFWXGNIFGNC-KVTDHHQDSA-NBDBM504084312,6-imino-2,6-dideoxy-d-glycero-d-talo-heptitol
Database identifiers
- CAS
127995-29-3- PubChem CID
- 195553
- ChEMBL
CHEMBL2114210- Nikkaji
- J811.453F
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Related reactions
2 records
Compound notes
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