Thio-beta-naphthol cellobioside
Basic information
- Standard SMILES
OCC1OC(OC2C(CO)OC(Sc3ccc4ccccc4c3)C(O)C2O)C(O)C(O)C1O- InChIKey
ZEEIREUOLUEAPU-UHFFFAOYSA-N- Molecular formula
- C22H28O10S
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.14031826
Names & identifiers
- Preferred name
- Thio-beta-naphthol cellobioside
- IUPAC
- 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-naphthalen-2-ylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
NSC231835Thio-.beta.-naphthol cellobiosideZEEIREUOLUEAPU-UHFFFAOYSA-NNSC-2318352-Naphthyl 4-O-hexopyranosyl-1-thiohexopyranoside #
Database identifiers
- PubChem CID
- 314405
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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