Basic information
- Standard SMILES
CCNC(=O)[C@H]1O[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1- InChIKey
JYWFLYKBWNLYIW-ISJRUSPKSA-N- Molecular formula
- C23H23NO8
- Average molar mass
- 441.4 g/mol
Names & identifiers
- Preferred name
- (2S,3S,4R,5S)-5-(acetyloxy)-4-(benzoyloxy)-2-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate
- IUPAC
- [(2S,3S,4R,5S)-5-acetyloxy-4-benzoyloxy-2-(ethylcarbamoyl)oxolan-3-yl] benzoate
Names & synonyms
SCHEMBL4368973JYWFLYKBWNLYIW-ISJRUSPKSA-N(2S,3S,4R,5S)-5-(acetyloxy)-4-(benzoyloxy)-2-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate(2S,3S,4R,5S)-5-(acetyloxy)-4-(benzoyloxy)-2-[(ethylamino)carbonyl]tetrahydro-3furanyl benzoate
Database identifiers
- PubChem CID
- 69018799
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
Related reactions
7 records
Compound notes
Loading…