Desmycosin
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Basic information
- CAS
11032-98-7- Standard SMILES
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC- InChIKey
QRPHLEPFYLNRDA-NLGRAQRVSA-N- Molecular formula
- C39H65NO14
- Average molar mass
- 771.9 g/mol
- Monoisotopic mass
- 771.44050575
Overview
Tylosin B has been reported in Streptomyces fradiae with data available.
Names & identifiers
- Preferred name
- Desmycosin
- IUPAC
- 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
- English name
- tylosin B
- Molecular formula
- C39H65NO14
- Molecular weight
- 771.93
Names & synonyms
Tylosin BDesmycosin11032-98-7DTXSID4010161772-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde2-((4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-((2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl)oxy-16-ethyl-4-hydroxy-15-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl)acetaldehydeRefChem:900808DTXCID501474314Tylosin B (Desmycosin)Desmycosin (6CI,8CI); Oxacyclohexadecane, tylosin deriv.; 4A-O-De(2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)tylosin; Demycarosyltylosin; Tylosin BTylosin B; DesmycosinCHEMBL43441
Show more names
DemycarosyltylosinTylosin B, EvoPureTerbinafine Impurity 27
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 11
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,260
Experimental & physicochemical properties
LogP1.0
Physicochemical properties
- Melting point
- 114 · 114-116 °C(Solv: chloroform (67-66-3))
- Boiling point
- 896.7 · 896.7±65.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.36 · pKa 8.36(H2O t=25.0 I=0.167) (Uncertain)
- form
- Solid
- color
- White to Pale Beige
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 319 · H319-H334-H410-H317
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- Hazard statements
- H319-H334-H410-H317
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesDesmycosin is a 16-membered macrolide antibiotic and a metabolite of Tylosin (T947650). Desmycosin is also a precursor to Tilmicosin (T440500).
Related reactions
1 records
Compound notes
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