Basic information
- CAS
16846-24-5- Standard SMILES
COC1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O- InChIKey
XJSFLOJWULLJQS-HTYUZQQASA-N- Molecular formula
- C42H69NO15
- Average molar mass
- 828 g/mol
- Monoisotopic mass
- 827.46672049
Names & identifiers
- Preferred name
- 4-(acetyloxy)-6-((3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-4-O-(3-methyl-1-oxobutyl)-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl)oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-diene-7-acetaldehyde
- IUPAC
- [(2S,3R,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
- English name
- Josamycin
- Molecular formula
- C42H69NO15
- Molecular weight
- 827.99
Names & synonyms
NCGC00016725-014-(acetyloxy)-6-((3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-4-O-(3-methyl-1-oxobutyl)-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl)oxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-diene-7-acetaldehydeCAS-16846-24-5SCHEMBL132828CHEMBL2361089Tox21_110583NS00000161(2S,3R,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,6S,7R,9R,10R,11E,13E,16R)-4-(Acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoateLEUCOMYCIN A3C12662EN 141Jomybel
Show more names
YL-704A3IosalideJosacineJosaminaWilprafenVilprafen
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,390
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 131.5 ℃ · 131.5℃
- alpha
- 25 · D25 -70° (c = 1 in ethanol)
- Boiling point
- 763.27 °C · 763.27°C (rough estimate)
- Density
- 1.1547 · 1.1547 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in ethanol
- pka
- 7.1 · 7.1 (40% aq methanol)
- form
- powder
- color
- white to slightly yellow
- Merck
- 13 · 13,5286
- Stability
- Hygroscopic
- InChIKey
- XJSFLOJWULLJQS-NGVXBBESSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- OH4725810
- Toxicity
- LD50 oral in rat: > 7gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesJosamycin, is used as a macrolide antibiotic effective against a variety of pathogens.
UsesAs a 16-membered ring macrolide antibiotic with antimicrobial activity against a wide range of pathogens. Josamycin can be particularly used in the treatment of Mycoplasma infection.Josamycin is used to study the modification of phagocytosis and cytokine production by macrolide antibiotics, immunomodulatory effects, the suppression of matrix metalloproteinase production as well as study bacteria protein synthesis at the level of the the 23S rRNA, 50S ribosomal subunit.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…