[3-Methylsulfonyloxy-2,2-bis(methylsulfonyloxymethyl)propyl] methanesulfonate
Basic information
- CAS
7511-62-8- Standard SMILES
CS(=O)(=O)OCC(COS(C)(=O)=O)(COS(C)(=O)=O)COS(C)(=O)=O- InChIKey
VXAXRXCTWLSTHD-UHFFFAOYSA-N- Molecular formula
- C9H20O12S4
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 447.98376076
Names & identifiers
- Preferred name
- [3-Methylsulfonyloxy-2,2-bis(methylsulfonyloxymethyl)propyl] methanesulfonate
- IUPAC
- [3-methylsulfonyloxy-2,2-bis(methylsulfonyloxymethyl)propyl] methanesulfonate
Names & synonyms
Tetramesylate7511-62-8NSC31720Pentaerythritoltetramesylat[3-methylsulfonyloxy-2,2-bis(methylsulfonyloxymethyl)propyl] methanesulfonateSCHEMBL1742189DTXSID00283472C9H20O12S4NSC-31720FM1677392,2-Bis{[(methanesulfonyl)oxy]methyl}propane-1,3-diyl dimethanesulfonate
Database identifiers
- CAS
7511-62-8- PubChem CID
- 233305
- DTXSID
DTXSID00283472
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 678
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Related reactions
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Compound notes
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