Basic information
- CAS
4251-91-6- Standard SMILES
CCOC(=O)O[C@@H](COS(C)(=O)=O)[C@H](COS(C)(=O)=O)OC(=O)OCC- InChIKey
JWMSKFGPLGPRDX-UWVGGRQHSA-N- Molecular formula
- C12H22O12S2
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.05526848
Names & identifiers
- Preferred name
- (2s,3s)-2,3-Bis[(ethoxycarbonyl)oxy]butane-1,4-diyl dimethanesulfonate
- IUPAC
- [(2S,3S)-2,3-bis(ethoxycarbonyloxy)-4-methylsulfonyloxybutyl] methanesulfonate
Names & synonyms
4251-91-6(2s,3s)-2,3-bis[(ethoxycarbonyl)oxy]butane-1,4-diyl dimethanesulfonateNSC67130DTXSID90962542NSC-671302,3-Bis[(ethoxycarbonyl)oxy]butane-1,4-diyl dimethanesulfonate
Database identifiers
- CAS
4251-91-6- PubChem CID
- 249145
- DTXSID
DTXSID90962542
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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