Basic information
- Standard SMILES
COP(=O)(OC)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]- InChIKey
NKIOVLQSMAHKKX-ULAWRXDQSA-N- Molecular formula
- C8H14NO9P
- Average molar mass
- 299.17 g/mol
- Monoisotopic mass
- 299.04061802
Names & identifiers
- Preferred name
- dimethyl (3S,3aS,6R,6aS)-6-(nitrooxy)hexahydrofuro[3,2-b]furan-3-yl phosphate
- IUPAC
- [(3R,3aS,6S,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] dimethyl phosphate
Names & synonyms
NKIOVLQSMAHKKX-ULAWRXDQSA-Ndimethyl (3S,3aS,6R,6aS)-6-(nitrooxy)hexahydrofuro[3,2-b]furan-3-yl phosphate
Database identifiers
- PubChem CID
- 86652099
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
4 records
Compound notes
Loading…