Erythromycin, 9-deoxo-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-amino-2,4,6-trichloro-alpha-ethylbenzenepropanoate (salt)
Basic information
- CAS
59246-33-2- Standard SMILES
CCC(Cc1c(Cl)cc(Cl)c(N)c1Cl)C(=O)O.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)C(O)(O2)C(C)C2OC(=O)OC12C- InChIKey
CDVJGCXTBREAMF-UHFFFAOYSA-N- Molecular formula
- C49H77Cl3N2O16
- Average molar mass
- 1,056.5 g/mol
- Monoisotopic mass
- 1,054.433867
Names & identifiers
- Preferred name
- Erythromycin, 9-deoxo-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-amino-2,4,6-trichloro-alpha-ethylbenzenepropanoate (salt)
- IUPAC
- 2-[(3-amino-2,4,6-trichlorophenyl)methyl]butanoic acid;14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione
Names & synonyms
59246-33-2Erythromycin, 9-deoxo-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-amino-2,4,6-trichloro-alpha-ethylbenzenepropanoate (salt)
Database identifiers
- CAS
59246-33-2- PubChem CID
- 83989
Properties
Computed structural properties
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 70
- Formal charge
- 0
- Complexity
- 1,600
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Compound notes
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