[(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Basic information
- CAS
63505-68-0- Standard SMILES
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](O)[C@H](OC(=O)CC[N+](=O)[O-])C(O)[C@@H]1O- InChIKey
VDUXCWJUZIOGJA-FLYDFBHLSA-N- Molecular formula
- C12H18N2O12
- Average molar mass
- 382.28 g/mol
- Monoisotopic mass
- 382.08597401
Names & identifiers
- Preferred name
- [(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
- IUPAC
- [(2R,3S,5R,6S)-3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Names & synonyms
NSC 279514
Database identifiers
- CAS
63505-68-0- PubChem CID
- 100273
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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