Basic information
- CAS
117821-05-3- Standard SMILES
CN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO- InChIKey
YWBPEHFIHKFMMC-DBRKOABJSA-N- Molecular formula
- C7H15NO4
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.10010796
Names & identifiers
- Preferred name
- N-Methyl-2,5-dideoxy-2,5-imino-D-mannitol
- IUPAC
- (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
Names & synonyms
MeDMDPN-Methyl-2,5-dideoxy-2,5-imino-D-mannitol117821-05-3CHEMBL3102312,5-Pyrrolidinedimethanol, 3,4-dihydroxy-1-methyl-, (2R-(2alpha,3beta,4alpha,5beta))-(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diolSCHEMBL2431527DTXSID10151916BDBM50031483(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol(2R,3R,4R,5R)-2,5-Bis-hydroxymethyl-1-methyl-pyrrolidine-3,4-diol2,5-Pyrrolidinedimethanol, 3,4-dihydroxy-1-methyl-, [2R-(2a,3b,4a,5b)]-
Database identifiers
- CAS
117821-05-3- PubChem CID
- 451990
- DTXSID
DTXSID10151916- ChEMBL
CHEMBL310231- Nikkaji
- J686.805C
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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