Basic information
- Standard SMILES
CC(N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1O)=C1C(=O)CC(C)(C)CC1=O- InChIKey
TYLFUVHEZAMZOO-WQTWDYGGSA-N- Molecular formula
- C42H45NO7
- Average molar mass
- 675.8 g/mol
- Monoisotopic mass
- 675.31960277
Names & identifiers
- IUPAC
- 2-[1-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-phenylmethoxy-6-(trityloxymethyl)oxan-3-yl]amino]ethylidene]-5,5-dimethylcyclohexane-1,3-dione
Database identifiers
- PubChem CID
- 23392847
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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