Basic information
- CAS
117770-14-6- Standard SMILES
OC[C@H](O)[C@H]1NC[C@H](O)[C@@H]1O- InChIKey
RVNSAAIWCWTCTJ-AZGQCCRYSA-N- Molecular formula
- C6H13NO4
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.0844579
Names & identifiers
- Preferred name
- 1,4-Dideoxy-1,4-imino-D-allitol
- IUPAC
- (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
Names & synonyms
1,4-Dideoxy-1,4-imino-D-allitol117770-14-63,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, (2R-(2alpha(S*),3beta,4beta))-
Database identifiers
- CAS
117770-14-6- PubChem CID
- 452013
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- 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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