Basic information
- Standard SMILES
COc1ccc2c(C(=S)N(C)CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cccc2c1C(F)(F)F- InChIKey
JSLWNJVWNXXKQH-KQEPKPNTSA-N- Molecular formula
- C22H25F3N2O7S
- Average molar mass
- 518.5 g/mol
- Monoisotopic mass
- 518.1334568
Names & identifiers
- Preferred name
- 2-Deoxy-2-[[[[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]methylamino]acetyl]amino]-D-glucose
- IUPAC
- 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Names & synonyms
2-Deoxy-2-[[[[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]methylamino]acetyl]amino]-D-glucoseSCHEMBL10352840
Database identifiers
- PubChem CID
- 53972264
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
Related reactions
2 records
Compound notes
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