Basic information
- CAS
115509-95-0- Standard SMILES
OC[C@@H](O)[C@@H]1NC[C@@H](O)[C@H]1O- InChIKey
RVNSAAIWCWTCTJ-ARQDHWQXSA-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-tallitol
- IUPAC
- (2S,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
Names & synonyms
1,4-Dideoxy-1,4-imino-D-tallitol115509-95-03,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, (2S-(2a(R*),3b,4b))-1,4-Dideoxy-1,4-imino-D-mannitol3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, [2S-[2a(R*),3b,4b]]-(2S,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diolSCHEMBL9495785117770-06-6
Database identifiers
- CAS
115509-95-0- PubChem CID
- 451998
- Nikkaji
- J3.376.404I
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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