(1R,2S)-1-(1H-pyrazol-4-yl)propane-1,2,3-triol
Basic information
- CAS
839716-40-4- Standard SMILES
OC[C@H](O)[C@H](O)c1cn[nH]c1- InChIKey
QUBXAXOJXBHDNB-NTSWFWBYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- (1R,2S)-1-(1H-pyrazol-4-yl)propane-1,2,3-triol
- IUPAC
- (1R,2S)-1-(1H-pyrazol-4-yl)propane-1,2,3-triol
Names & synonyms
(1R,2S)-1-(1H-pyrazol-4-yl)propane-1,2,3-triol839716-40-4DTXSID40616028
Database identifiers
- CAS
839716-40-4- PubChem CID
- 21577598
- DTXSID
DTXSID40616028
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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