Erythromycin, 3-O-de(2,6-dideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)-, 9-[O-[(2-methoxyethoxy)methyl]oxime]
Basic information
- CAS
118267-19-9- Standard SMILES
CCC1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
BNZRPTCUAOMSSH-YUZGJFBMSA-N- Molecular formula
- C33H62N2O12
- Average molar mass
- 678.9 g/mol
- Monoisotopic mass
- 678.43027542
Names & identifiers
- Preferred name
- Erythromycin, 3-O-de(2,6-dideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)-, 9-[O-[(2-methoxyethoxy)methyl]oxime]
- IUPAC
- (3R,4S,5S,6R,7R,9R,11S,12R,13S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,7,12,13-tetrahydroxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Names & synonyms
DTXSID801106077118267-19-9Erythromycin, 3-O-de(2,6-dideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)-, 9-[O-[(2-methoxyethoxy)methyl]oxime]
Database identifiers
- CAS
118267-19-9- PubChem CID
- 165367174
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,000
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Related reactions
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Compound notes
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