Basic information
- CAS
28368-55-0- Standard SMILES
O=[N+]([O-])OC[C@@H](O)[C@H](O)CO[N+](=O)[O-]- InChIKey
UZNJAWZXHHGSAB-QWWZWVQMSA-N- Molecular formula
- C4H8N2O8
- Average molar mass
- 212.12 g/mol
- Monoisotopic mass
- 212.02806522
Names & identifiers
- Preferred name
- 1,2,3,4-Butanetetrol, 1,4-dinitrate, (R*,R*)-(+-)-
- IUPAC
- [(2R,3R)-2,3-dihydroxy-4-nitrooxybutyl] nitrate
Names & synonyms
28368-55-02,3-dihydroxybutane-1,4-diyl dinitrate1,2,3,4-Butanetetrol, 1,4-dinitrate, (R*,R*)-(+-)-DTXSID20951045(2R,3R)-2,3-dihydroxybutane-1,4-diyl dinitrate
Database identifiers
- CAS
28368-55-0- PubChem CID
- 147282
- DTXSID
DTXSID20951045
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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