Basic information
- CAS
116911-14-9- Standard SMILES
[N-]=[N+]=N[C@@H](c1ccccc1)[C@H](O)CO- InChIKey
XJPAJRFRXZRWRD-BDAKNGLRSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- (S,S)-3-Azido-3-phenyl-1,2-propanediol
- IUPAC
- (2S,3S)-3-azido-3-phenylpropane-1,2-diol
Names & synonyms
(S,S)-3-Azido-3-phenyl-1,2-propanediolCCRIS 8046116911-14-9(S)-3-Azido-3-phenyl-1,2-propanediolDTXSID10151577RefChem:211181DTXCID9074068(2S,3S)-3-azido-3-phenylpropane-1,2-diol(2s,3s)-3-azido-3-phenyl-propane-1,2-diol
Database identifiers
- CAS
116911-14-9- PubChem CID
- 146643
- DTXSID
DTXSID10151577- Nikkaji
- J3.352.687C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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