1,3,4-Tris(p-toluenesulfonyl)-2,5-O-methylene-l-rhamnitol
Basic information
- CAS
5399-36-0- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2OCOC(C)C(OS(=O)(=O)c3ccc(C)cc3)C2OS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
OHUNTOAZURMMNX-UHFFFAOYSA-N- Molecular formula
- C28H32O11S3
- Average molar mass
- 640.7 g/mol
- Monoisotopic mass
- 640.11067535
Names & identifiers
- Preferred name
- 1,3,4-Tris(p-toluenesulfonyl)-2,5-O-methylene-l-rhamnitol
- IUPAC
- [7-methyl-5,6-bis-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-4-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
5399-36-0NSC1374DTXSID40277254OHUNTOAZURMMNX-UHFFFAOYSA-N1,3,4-Tris(p-toluenesulfonyl)-2,5-O-methylene-l-rhamnitolNSC-13746-DEOXY-2, TRI-P-TOLUENESULFONATE{7-Methyl-5,6-bis[(4-methylbenzene-1-sulfonyl)oxy]-1,3-dioxepan-4-yl}methyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
5399-36-0- PubChem CID
- 219716
- DTXSID
DTXSID40277254
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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