Desmethylerythromycin
Basic information
- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(NC)C2O)C(C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)C1(C)O- InChIKey
TXOOBKBDBNRQCF-SGASLXJQSA-N- Molecular formula
- C36H65NO13
- Average molar mass
- 719.9 g/mol
- Monoisotopic mass
- 719.44559113
Names & identifiers
- Preferred name
- Desmethylerythromycin
- IUPAC
- (3R,4S,5S,6R,9R,11R,12R,14R)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Names & synonyms
N-Demethyl erythromycinDesmethylerythromycinRefChem:200459TXOOBKBDBNRQCF-HUBMKMBISA-NSCHEMBL30605631DTXSID901370134
Database identifiers
- PubChem CID
- 6426641
- DTXSID
DTXSID901370134
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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