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Chemical structure of Tylvalosin tartrate

GC61363

Tylvalosin tartrate

Also known as [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-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;(2R,3R)-2,3-dihydroxybutanedioic acid

Tylvalosin tartrate (Acetylisovaleryltylosin tartrate) is a macrolide antibiotic that can against Gram-positive bacteria

ChemicalCAS63428-13-7MW1192.34FormulaC57H93NO25
CAS number
63428-13-7
Molecular weight
1192.34
Formula
C57H93NO25
Solubility
DMSO： 100 mg/mL (83·87 mM)
InChIKey
OLLSDNUHBJHKJS-XKORHJEPSA-N
Catalogue number
GC61363
Brand
GLPBIO
Computed properties PubChem CID 56840638 · TPSA 366 Ų · H-bond donors 7 · H-bond acceptors 26
TPSA
366 Ų
H-bond donors
7
H-bond acceptors
26
Rotatable bonds
22
Heavy atoms
83

SMILES CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Computed descriptors from PubChem (CID 56840638), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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