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Chemical structure of Acetylspiramycin

GC35237

Acetylspiramycin

Also known as [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate

Acetylspiramycin (Spiramycin B; Spiramycin II; Foromacidin B) is a potent and orally active macrolide antibiotic produced by various Streptomyces species, an acetylated derivative of Spiramycin

ChemicalCAS24916-51-6MW885.09FormulaC45H76N2O15
CAS number
24916-51-6
Molecular weight
885.09
Formula
C45H76N2O15
Solubility
DMSO： ≥ 50 mg/mL (56·49 mM)
InChIKey
ZPCCSZFPOXBNDL-RSMXASMKSA-N
Catalogue number
GC35237
Brand
GLPBIO
Computed properties PubChem CID 5282173 · XLogP 2.7 · TPSA 201 Ų · H-bond donors 3
XLogP
2.7
TPSA
201 Ų
H-bond donors
3
H-bond acceptors
17
Rotatable bonds
13
Heavy atoms
62

SMILES C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)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)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C

Computed descriptors from PubChem (CID 5282173), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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