Basic information
- CAS
1435113-80-6- Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@]23OC(C)(C)O[C@H]2COC3O)cc1- InChIKey
IGOGYHJQBMAUMN-YOYPFHDYSA-N- Molecular formula
- C15H20O7S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.09297415
Names & identifiers
- Preferred name
- Furo[3,4-d]-1,3-dioxole-3a(4H)-methanol, dihydro-4-hydroxy-2,2-dimethyl-, 3a-(4-methylbenzenesulfonate), (3aS,6aS)-
- IUPAC
- [(3aS,6aS)-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
DTXSID5011067111435113-80-6Furo[3,4-d]-1,3-dioxole-3a(4H)-methanol, dihydro-4-hydroxy-2,2-dimethyl-, 3a-(4-methylbenzenesulfonate), (3aS,6aS)-
Database identifiers
- CAS
1435113-80-6- PubChem CID
- 165367249
- DTXSID
DTXSID501106711
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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