Basic information
- CAS
73987-14-1- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@H]2OC(C)(C)O[C@H]2C)cc1- InChIKey
URJNPCRTQLXDBY-WCQYABFASA-N- Molecular formula
- C14H20O5S
- Average molar mass
- 300.37 g/mol
- Monoisotopic mass
- 300.10314491
Names & identifiers
- Preferred name
- 1, 2,2,4-Trimethyl-, p-toluenesulfonate (ester), DL-erythro-
- IUPAC
- [(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
NSC75723DTXSID50995255NSC-75723WLN: T5O COTJ B1 B1 D1OSWR D1& E1 -DL1, 2,2,4-trimethyl-, p-toluenesulfonate (ester), dl-erythro-1, 2,2,5-trimethyl-, 4-methylbenzenesulfonate, cis-(.+-.)-(2,2,5-Trimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzene-1-sulfonate2,4-Trimethyl-5-(p-tolylsulfonyloxy)methyl-dl-erythro-1,3-dioxolane[(4R,5S)-2,2,5-Trimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
73987-14-1- PubChem CID
- 253152
- DTXSID
DTXSID50995255
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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