1,7-DI-O-Methylene-D-glycero-D-galacto-heptitol, tri-P-toluenesulfonate
Basic information
- CAS
5346-65-6- Standard SMILES
Cc1ccc(S(=O)(=O)OC2COCOC2C(OS(=O)(=O)c2ccc(C)cc2)C2OCOCC2OS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
WUKQZTARHPBQAQ-UHFFFAOYSA-N- Molecular formula
- C30H34O13S3
- Average molar mass
- 698.8 g/mol
- Monoisotopic mass
- 698.11615466
Names & identifiers
- Preferred name
- 1,7-DI-O-Methylene-D-glycero-D-galacto-heptitol, tri-P-toluenesulfonate
- IUPAC
- [4-[(4-methylphenyl)sulfonyloxy-[5-(4-methylphenyl)sulfonyloxy-1,3-dioxan-4-yl]methyl]-1,3-dioxan-5-yl] 4-methylbenzenesulfonate
Names & synonyms
NSC1659NSC-16591,7-DI-O-METHYLENE-D-GLYCERO-D-GALACTO-HEPTITOL, TRI-P-TOLUENESULFONATE
Database identifiers
- CAS
5346-65-6- PubChem CID
- 219879
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,210
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Compound notes
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