(1R,2R,5R,6S,7S,11R)-8-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione
Basic information
- CAS
131418-65-0- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)C(O[C@@H]2OC(C)C[C@H](N(C)C)[C@H]2O)C(C)(O)C[C@@H](C)C2=C(C)C(=O)[C@]1(C)O2- InChIKey
SZZIJYBWFJCYOX-DHWUZCQFSA-N- Molecular formula
- C37H63NO12
- Average molar mass
- 713.9 g/mol
- Monoisotopic mass
- 713.43502644
Names & identifiers
- Preferred name
- (1R,2R,5R,6S,7S,11R)-8-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione
- IUPAC
- (1R,2R,5R,6S,7S,11R)-8-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-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 A
- Molecular formula
- C37H63NO12
- Molecular weight
- 713.9
Names & synonyms
(1R,2R,5R,6S,7S,11R)-8-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione(1R,2R,5R,6S,7S,8R,9R,11R)-8-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dioneL53-18 ASCHEMBL294980199,10-Didehydro-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxoerythromycinSrm-asporeamicin A9,12-Epoxy-11-oxo-11,12-dideoxy-9,10-didehydro(9-deoxoerythromycin)Erythromycin, 9,10-didehydro-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo-(2R,6S,7S,8R,11R,12R)-5-[(2S,3R,4S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4-hydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-9,13-dione
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- Boiling point
- 811.12 · 811.120±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.206 · 1.206±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.496 · 13.496±0.70(predicted)
Chemistry & industry
Applications
DescriptionSporeamicin A is a new macrolide antibiotic isolated from Saccaropolyspora.
UsesSporeamicin A is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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