روکیتامایسین

Chemical data

Formula

C42H69NO15

Molecular weight

828 g/mol

IUPAC name

[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-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-2,4-dimethyl-4-propanoyloxyoxan-3-yl] butanoate

SMILES

CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C

InChIKey

VYWWNRMSAPEJLS-MDWYKHENSA-N

XLogP

3

Polar surface area

206 Ų

H-bond donors

3

H-bond acceptors

16

Formal charge

0

via PubChem

Drug data · ChEMBL

Max clinical phase

Phase 2

Molecule type

Small molecule

Indications

bacterial disease

via ChEMBL · EBI

Wikidata facts

Subclass of

chemical compound

Mass

827.467

via Wikidata · CC0