[4-Hydroxy-5-(4-methylphenyl)sulfonyloxy-6-phenylmethoxyoxan-3-yl] 4-methylbenzenesulfonate
Basic information
- CAS
50256-94-5- Standard SMILES
Cc1ccc(S(=O)(=O)OC2COC(OCc3ccccc3)C(OS(=O)(=O)c3ccc(C)cc3)C2O)cc1- InChIKey
PQGZJCKXPUEOKU-UHFFFAOYSA-N- Molecular formula
- C26H28O9S2
- Average molar mass
- 548.6 g/mol
- Monoisotopic mass
- 548.11747481
Names & identifiers
- Preferred name
- [4-Hydroxy-5-(4-methylphenyl)sulfonyloxy-6-phenylmethoxyoxan-3-yl] 4-methylbenzenesulfonate
- IUPAC
- [4-hydroxy-5-(4-methylphenyl)sulfonyloxy-6-phenylmethoxyoxan-3-yl] 4-methylbenzenesulfonate
Names & synonyms
50256-94-5NSC356146[4-hydroxy-5-(4-methylphenyl)sulfonyloxy-6-phenylmethoxyoxan-3-yl] 4-methylbenzenesulfonateDTXSID00320199NSC-356146Benzyl 2,4-bis-O-(4-methylbenzene-1-sulfonyl)pentopyranoside
Database identifiers
- CAS
50256-94-5- PubChem CID
- 337580
- DTXSID
DTXSID00320199
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 905
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Compound notes
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