Neomethymycin

(3R,4S,5S,7R,9E,11R,12S)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione

Also Known As: Neomethymycin|(12R)-Neomethymycin|NEOMETHYMYCIN [MI]|(12R)-10-Deoxy-12-hydroxymethymycin|Methymycin, 10-deoxy-12-hydroxy-, (12R)-|J1.085.773B|(3R,4S,5S,7R,9E,11R,12S)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione|(3R,4S,5S,7R,9E,11R,12S)-12-((1R)-1-Hydroxyethyl)-3,5,7,11-tetramethyl-4-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)oxacyclododec-9-ene-2,8-dione|(3R,4S,5S,7R,9E,11R,12S)-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside|(3R,4S,5S,7R,9E,11R,12S)-4-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-12-((1R)-1-hydroxyethyl)-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione|(3R,4S,5S,7R,9E,11R,12S)-4-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione|3R,4S,5S,7R,9E,11R,12S)-12-((1R)-1-HYDROXYETHYL)-3,5,7,11-TETRAMETHYL-4-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)OXACYCLODODEC-9-ENE-2,8-DIONE|OXACYCLODODEC-9-ENE-2,8-DIONE, 12-((1R)-1-HYDROXYETHYL)-3,5,7,11-TETRAMETHYL-4-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3R,4S,5S,7R,9E,11R,12S)-

Molecular Formula	C25H43NO7
Molecular Weight	469.30396 g/mol
LogP	2.1636
Topological Polar Surface Area	105.53 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	469.30396
Monoisotopic Mass	469.30396
Heavy Atoms	33
Complexity	694.2429

Chemical Identifiers

CAS Number	497-73-4
SMILES	C[C@H]1C[C@H](C(=O)/C=C/[C@H]([C@H](OC(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)[C@@H](C)O)C)C