Basic information
- CAS
6964-92-7- Standard SMILES
COC1OC2COC(c3ccccc3)OC2C(OS(=O)(=O)c2ccc(C)cc2)C1SCc1ccccc1- InChIKey
FYWDMDRVHQOLBL-UHFFFAOYSA-N- Molecular formula
- C28H30O7S2
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.14329564
Names & identifiers
- Preferred name
- (7-Benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate
- IUPAC
- (7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) 4-methylbenzenesulfonate
Names & synonyms
6964-92-7NSC67048DTXSID50989755NSC-67048Methyl 2-S-benzyl-4,6-O-benzylidene-3-O-(4-methylbenzene-1-sulfonyl)-2-thiohexopyranoside
Database identifiers
- CAS
6964-92-7- PubChem CID
- 249088
- DTXSID
DTXSID50989755
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 798
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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