(8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide
Basic information
- CAS
43179-91-5- Standard SMILES
CCC1OC(=O)C(C)C(OC2OC(C)C(O)CC2(C)OC)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC3(C)OC3(O2)C(C)C(O)C1C- InChIKey
GVGMVYJQAPZKRR-UHFFFAOYSA-N- Molecular formula
- C37H65NO12
- Average molar mass
- 715.9 g/mol
- Monoisotopic mass
- 715.45067651
Overview
structure
Names & identifiers
- Preferred name
- (8S,9S)-8,9-anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxide
- IUPAC
- 11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-(5-hydroxy-3-methoxy-3,6-dimethyloxan-2-yl)oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.3.1.01,14]hexadecan-7-one
Names & synonyms
43179-91-5(8S,9S)-8,9-Anhydroerythromycin-B 6,9-hemiacetal-8,9-epoxideErythromycin, 9-deoxo-6,12-dideoxy-6,9:8,9-diepoxy-, (8S,9S)-RefChem:6981011-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-(5-hydroxy-3-methoxy-3,6-dimethyloxan-2-yl)oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.3.1.01,14]hexadecan-7-one
Database identifiers
- CAS
43179-91-5- PubChem CID
- 83963
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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