Basic information
- CAS
18981-61-8- Standard SMILES
COC1CC(OS(=O)(=O)c2ccc(C)cc2)C(O)C(C)O1- InChIKey
BUNJOGJAVQTICZ-UHFFFAOYSA-N- Molecular formula
- C14H20O6S
- Average molar mass
- 316.37 g/mol
- Monoisotopic mass
- 316.09805953
Names & identifiers
- Preferred name
- (3-Hydroxy-6-methoxy-2-methyloxan-4-yl) 4-methylbenzenesulfonate
- IUPAC
- (3-hydroxy-6-methoxy-2-methyloxan-4-yl) 4-methylbenzenesulfonate
Names & synonyms
18981-61-8NSC10952172002-50-7DTXSID90940502NSC185343NSC301726NSC-109521NSC-185343NSC-301726Methyl 2,6-dideoxy-3-O-(4-methylbenzene-1-sulfonyl)hexopyranoside
Database identifiers
- CAS
18981-61-8、72002-50-7- PubChem CID
- 269003
- DTXSID
DTXSID90940502
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…