1,2,3,4,5,6-Hexa-o-nitrohexitol
Basic information
- CAS
17091-13-3- Standard SMILES
O=[N+]([O-])OCC(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
DGMJZELBSFOPHH-UHFFFAOYSA-N- Molecular formula
- C6H8N6O18
- Average molar mass
- 452.16 g/mol
- Monoisotopic mass
- 451.98950743
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-Hexa-o-nitrohexitol
- IUPAC
- 1,2,4,5,6-pentanitrooxyhexan-3-yl nitrate
Names & synonyms
1,2,3,4,5,6-hexa-o-nitrohexitolMannithexanitrat17091-13-3Mannitol, hexanitrateD-Glucitol hexanitrateSCHEMBL220255DTXSID80864642EINECS 241-156-1
Database identifiers
- CAS
17091-13-3- PubChem CID
- 86507
- DTXSID
DTXSID80864642- EC Number
- 241-156-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 330 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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