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Basic information
- Standard SMILES
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(Sc3ccc4ccccc4c3)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
BMVLBSVALFJPCO-UHFFFAOYSA-N- Molecular formula
- C36H42O17S
- Average molar mass
- 778.8 g/mol
- Monoisotopic mass
- 778.21427104
Names & identifiers
- Preferred name
- beta-Thionaphthol maltoside heptaacetate
- IUPAC
- [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-naphthalen-2-ylsulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
Names & synonyms
NSC231832BMVLBSVALFJPCO-UHFFFAOYSA-NNSC-231832.beta.-Thionaphthol maltoside heptaacetate2-Naphthyl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1-thiohexopyranoside #
Database identifiers
- PubChem CID
- 314403
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 20
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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