Basic information
- CAS
6027-42-5- Standard SMILES
O=[N+]([O-])C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO- InChIKey
HOFCJTOUEGMYBT-BXKVDMCESA-N- Molecular formula
- C6H13NO7
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.06920176
Names & identifiers
- Preferred name
- 1-Deoxy-1-nitro-L-mannitol
- IUPAC
- (2S,3S,4S,5S)-6-nitrohexane-1,2,3,4,5-pentol
Names & synonyms
1-Deoxy-1-nitro-L-mannitol6027-42-5EINECS 227-894-7NSC 25292RefChem:75579227-894-7(2S,3S,4S,5S)-6-nitrohexane-1,2,3,4,5-pentolC6H13NO7SCHEMBL9809656DTXSID701311285GEO-04695MD02053
Show more names
NS00082418
Database identifiers
- CAS
6027-42-5- PubChem CID
- 111130
- DTXSID
DTXSID701311285- EC Number
- 227-894-7
- Nikkaji
- J227.236I
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
1 records
Compound notes
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