3,7-Bis(aziridin-1-yl)-1,1-bis(aziridin-1-yl)-9,9-bis(aziridin-1-yl)-1,5,5,9-tetraoxo-2,4,6,8-tetraoxa-5lambda~6~-thia-1lambda~5~,3lambda~5~,7lambda~5~,9lambda~5~-tetraphosphanonane-3,7-dione
Basic information
- CAS
52161-26-9- Standard SMILES
O=P(OP(=O)(N1CC1)N1CC1)(OS(=O)(=O)OP(=O)(OP(=O)(N1CC1)N1CC1)N1CC1)N1CC1- InChIKey
MKQKUFONNRQYQO-UHFFFAOYSA-N- Molecular formula
- C12H24N6O10P4S
- Average molar mass
- 568.32 g/mol
- Monoisotopic mass
- 568.02251015
Names & identifiers
- Preferred name
- 3,7-Bis(aziridin-1-yl)-1,1-bis(aziridin-1-yl)-9,9-bis(aziridin-1-yl)-1,5,5,9-tetraoxo-2,4,6,8-tetraoxa-5lambda~6~-thia-1lambda~5~,3lambda~5~,7lambda~5~,9lambda~5~-tetraphosphanonane-3,7-dione
- IUPAC
- bis[aziridin-1-yl-[bis(aziridin-1-yl)phosphoryloxy]phosphoryl] sulfate
Names & synonyms
52161-26-9DTXSID509665213,7-Bis(aziridin-1-yl)-1,1-bis(aziridin-1-yl)-9,9-bis(aziridin-1-yl)-1,5,5,9-tetraoxo-2,4,6,8-tetraoxa-5lambda~6~-thia-1lambda~5~,3lambda~5~,7lambda~5~,9lambda~5~-tetraphosphanonane-3,7-dioneRefChem:1066116DTXCID701394156Sulfuric acid, dianhydride with 1-aziridinyl((bis(1-aziridinyl)phosphonyl)oxy)phosphinic acid
Database identifiers
- CAS
52161-26-9- PubChem CID
- 3040409
- DTXSID
DTXSID50966521
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…