2,2,9,9-Tetraoxo-2lambda~6~,9lambda~6~-dithia-3,8-diazadecane-5,6-diyl dimethanesulfonate
Basic information
- CAS
25874-48-0- Standard SMILES
CS(=O)(=O)NCC(OS(C)(=O)=O)C(CNS(C)(=O)=O)OS(C)(=O)=O- InChIKey
KFQYXRNFDHOZOR-UHFFFAOYSA-N- Molecular formula
- C8H20N2O10S4
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.00007953
Names & identifiers
- Preferred name
- 2,2,9,9-Tetraoxo-2lambda~6~,9lambda~6~-dithia-3,8-diazadecane-5,6-diyl dimethanesulfonate
- IUPAC
- [1,4-bis(methanesulfonamido)-3-methylsulfonyloxybutan-2-yl] methanesulfonate
Names & synonyms
25874-48-0DTXSID80948759NSC90348NSC-903482,2,9,9-Tetraoxo-2lambda~6~,9lambda~6~-dithia-3,8-diazadecane-5,6-diyl dimethanesulfonate
Database identifiers
- CAS
25874-48-0- PubChem CID
- 259790
- DTXSID
DTXSID80948759
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 733
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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