Erythromycin, 9-deoxo-9-(((4-((1-oxopropyl)amino)phenyl)sulfonyl)amino)-, (9S)-
Basic information
- CAS
61066-21-5- Standard SMILES
CCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@H](C)[C@@H](O[C@H]3O[C@@H](C)C[C@@H](N(C)C)[C@@H]3O)[C@](C)(O)C[C@H]2C)cc1- InChIKey
HUCNCPGRSHTEDZ-ZBTITLLCSA-N- Molecular formula
- C46H79N3O15S
- Average molar mass
- 946.2 g/mol
- Monoisotopic mass
- 945.52319
Names & identifiers
- Preferred name
- Erythromycin, 9-deoxo-9-(((4-((1-oxopropyl)amino)phenyl)sulfonyl)amino)-, (9S)-
- IUPAC
- N-[4-[[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-yl]sulfamoyl]phenyl]propanamide
- English name
- (9S)-9-Deoxo-9-[[[4-[(1-oxopropyl)amino]phenyl]sulfonyl]amino]erythromycin
- Molecular formula
- C46H79N3O15S
- Molecular weight
- 946.2
Names & synonyms
Erythromycin, 9-deoxo-9-(((4-((1-oxopropyl)amino)phenyl)sulfonyl)amino)-, (9S)-61066-21-5RefChem:1084254BRN 1677362N-(4-Propionylaminobenzenesulfonyl)erythromycylamine(9S)-9-Deoxo-9-(((4-((1-oxopropyl)amino)phenyl)sulfonyl)amino)erythromycinReaxys ID: 1677362(9S)-9-Deoxo-9-[[[4-[(1-oxopropyl)amino]phenyl]sulfonyl]amino]erythromycinErythromycin, 9-deoxo-9-[[[4-[(1-oxopropyl)amino]phenyl]sulfonyl]amino]-, (9S)- (9CI)
Database identifiers
- CAS
61066-21-5- PubChem CID
- 88115
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 260 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,670
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Related reactions
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Compound notes
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