Basic information
- CAS
30236-29-4- Standard SMILES
O=[N+]([O-])OC[C@H]1O[C@@](CO[N+](=O)[O-])(O[C@H]2O[C@H](CO[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@H](O[N+](=O)[O-])[C@H]2O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])[C@@H]1O[N+](=O)[O-]- InChIKey
OTDZXQINPOLBHS-UGDNZRGBSA-N- Molecular formula
- C12H14N8O27
- Average molar mass
- 702.28 g/mol
- Monoisotopic mass
- 701.9968372
Names & identifiers
- Preferred name
- alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-nitro-beta-D-fructofuranosyl, 2,3,4,6-tetranitrate
- IUPAC
- [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-dinitrooxy-2,5-bis(nitrooxymethyl)oxolan-2-yl]oxy-3,5-dinitrooxy-6-(nitrooxymethyl)oxan-4-yl] nitrate
Names & synonyms
30236-29-4RefChem:1076484alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-nitro-beta-D-fructofuranosyl, 2,3,4,6-tetranitrateSucrose Octanitrate (dry)Sucrose octanitrate (dry) [Forbidden]SCHEMBL17501498DTXSID709526081,3,4,6-Tetra-O-nitrohex-2-ulofuranosyl 2,3,4,6-tetra-O-nitrohexopyranoside1,3,4,6-tetra-O-nitro-beta-D-fructofuranosyl 2,3,4,6-tetra-O-nitro-alpha-D-glucopyranoside
Database identifiers
- CAS
30236-29-4- PubChem CID
- 61869
- DTXSID
DTXSID70952608- Nikkaji
- J3.445.726C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 468 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 13
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,190
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT Hazard Classification
Sucrose octanitrate (dry)
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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