[2-Acetyloxy-5-(methoxycarbonyloxymethyl)-4-(4-methylphenyl)sulfonyloxyoxolan-3-yl] acetate
Basic information
- CAS
61794-22-7- Standard SMILES
COC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C1OS(=O)(=O)c1ccc(C)cc1- InChIKey
BSJPRZIINRTIGX-UHFFFAOYSA-N- Molecular formula
- C18H22O11S
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.08828269
Names & identifiers
- Preferred name
- [2-Acetyloxy-5-(methoxycarbonyloxymethyl)-4-(4-methylphenyl)sulfonyloxyoxolan-3-yl] acetate
- IUPAC
- [2-acetyloxy-5-(methoxycarbonyloxymethyl)-4-(4-methylphenyl)sulfonyloxyoxolan-3-yl] acetate
Names & synonyms
61794-22-7NSC23611DTXSID50977374NSC-23611ZINC044299031,2-Di-O-acetyl-5-O-(methoxycarbonyl)-3-O-(4-methylbenzene-1-sulfonyl)pentofuranose
Database identifiers
- CAS
61794-22-7- PubChem CID
- 229741
- DTXSID
DTXSID50977374
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 721
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Related reactions
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Compound notes
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