Erythromycin, 3-de[(2,6-dideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-6-O-methyl-3-oxo-, 2a(2)-acetate, (1a(2)I(3/4))-
Basic information
- CAS
1180050-86-5- Standard SMILES
CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
YZCZTRXLLDSVJW-NDCHCNBLSA-N- Molecular formula
- C32H55NO11
- Average molar mass
- 629.8 g/mol
- Monoisotopic mass
- 629.37751157
Names & identifiers
- Preferred name
- Erythromycin, 3-de[(2,6-dideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-6-O-methyl-3-oxo-, 2a(2)-acetate, (1a(2)I(3/4))-
- IUPAC
- [(3R,4S,6R)-4-(dimethylamino)-2-[[(3R,5R,6R,7R,9R,11R,12R,13S)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate
Names & synonyms
DTXSID2011054211180050-86-5Erythromycin, 3-de[(2,6-dideoxy-3-C-methyl-3-O-methyl-I+/--L-ribo-hexopyranosyl)oxy]-6-O-methyl-3-oxo-, 2a(2)-acetate, (1a(2)I(3/4))-
Database identifiers
- CAS
1180050-86-5- PubChem CID
- 165367100
- DTXSID
DTXSID201105421
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
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Compound notes
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