(1S,2R,3S)-1-(2-phenyltriazol-4-yl)butane-1,2,3,4-tetrol
Basic information
- CAS
5440-70-0- Standard SMILES
OC[C@H](O)[C@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1- InChIKey
JNMUJXXKLZFAIT-SRVKXCTJSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- (1S,2R,3S)-1-(2-phenyltriazol-4-yl)butane-1,2,3,4-tetrol
- IUPAC
- (1S,2R,3S)-1-(2-phenyltriazol-4-yl)butane-1,2,3,4-tetrol
Names & synonyms
DTXSID3011555625440-70-0(1S,2R,3S)-1-(2-Phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3,4-tetrolrel-(1R,2S,3R)-1-(2-Phenyl-2H-1,2,3-triazol-4-yl)-1,2,3,4-butanetetrol
Database identifiers
- CAS
5440-70-0- PubChem CID
- 25323151
- DTXSID
DTXSID301155562
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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