Sporeamicin C
Basic information
- CAS
141340-34-3- Standard SMILES
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(NC)C2O)C(C)(O)CC(C)C2=C(C)C(=O)C1(C)O2- InChIKey
PLXBYEZLPVFWDI-UHFFFAOYSA-N- Molecular formula
- C36H61NO12
- Average molar mass
- 699.9 g/mol
- Monoisotopic mass
- 699.41937638
Overview
structure given in first source
Names & identifiers
- Preferred name
- Sporeamicin C
- IUPAC
- 2-ethyl-9-hydroxy-6-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-8-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione
- English name
- sporeamicin C
- Molecular formula
- C36H61NO12
- Molecular weight
- 699.88
Names & synonyms
Sporeamicin C141340-34-32-ethyl-9-hydroxy-6-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-8-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione2-ethyl-9-hydroxy-6-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-8-(3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl)oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo(10.2.1)pentadec-12-ene-4,14-dioneRefChem:185018Erythromycin, 9,10-didehydro-N-demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo-Erythromycin 9,10-didehydro-N-demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo-N-Demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo-9,10-didehydroerythromycinErythromycin, 9,10-didehydro-N-demethyl-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo- (9CI)
Database identifiers
- CAS
141340-34-3- PubChem CID
- 84032
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,230
Physicochemical properties
- Boiling point
- 811.2 · 811.2±65.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 13.55 · 13.55±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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