Basic information
- CAS
117770-04-4- Standard SMILES
OC[C@H]1[C@H](O)[C@H](O)CN1Cc1ccccc1- InChIKey
SBDAWMSBMQBJRA-TUAOUCFPSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- N-Benzyl-1,4-dideoxy-1,4-imino-L-ribitol
- IUPAC
- (2S,3S,4R)-1-benzyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
Names & synonyms
BzLRibN-Benzyl-1,4-dideoxy-1,4-imino-L-ribitol117770-04-43,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-(phenylmethyl)-, (2S-(2alpha,3beta,4beta))-(2S,3S,4R)-1-benzyl-2-(hydroxymethyl)pyrrolidine-3,4-diolSCHEMBL2433104DTXSID601519063,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-(phenylmethyl)-, [2S-(2a,3b,4b)]-
Database identifiers
- CAS
117770-04-4- PubChem CID
- 452010
- DTXSID
DTXSID60151906
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…